CAS: 83-88-5 Formule moléculaire: C17H20N4O6 Poids moléculaire (g/mol): 376.37 Numéro MDL: MFCD00005022 Clé InChI: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonyme: flavaxin, beflavine, beflavin, --riboflavin, lactoflavine, vitamin g, riboflavine, lactoflavin, vitamin b2, riboflavin CID PubChem: 71310809 SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1

CAS: 108-80-5 Formule moléculaire: C3H3N3O3 Poids moléculaire (g/mol): 129.08 Numéro MDL: MFCD00082990 Clé InChI: ZFSLODLOARCGLH-UHFFFAOYSA-N Synonyme: isocyanurate acid, pseudocyanuric acid, 1,3,5-triazine-2,4,6 1h,3h,5h-trione, s-triazinetriol, sym-triazinetriol, tricyanic acid, trihydroxycyanidine, 1,3,5-triazine-2,4,6-triol, isocyanuric acid, cyanuric acid CID PubChem: 7956 ChEBI: CHEBI:38028 Nom IUPAC: 1,3,5-triazinane-2,4,6 -trione SMILES: O=C1NC(=O)NC(=O)N1

CAS: 87-66-1 Formule moléculaire: C6H6O3 Poids moléculaire (g/mol): 126.11 Numéro MDL: MFCD00002192 Clé InChI: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonyme: piral, c.i. oxidation base 32, pyro, fourrine 85, fourrine pg, fouramine brown ap, 1,2,3-benzenetriol, pyrogallic acid, 1,2,3-trihydroxybenzene, pyrogallol CID PubChem: 1057 ChEBI: CHEBI:16164 Nom IUPAC: benzène-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O

CAS: 78092-53-2 Formule moléculaire: C66H84O6 Poids moléculaire (g/mol): 973.392 Numéro MDL: MFCD00075464 Clé InChI: UOEYZAXKBKAKRO-UHFFFAOYSA-N Synonyme: p-tert-butylcalix-6-arene, tert-butylcalix 6 arene, p-t-butylcalix 6 arene, calx-b 6, hexa-tert-butyl hexahydroxy calix 6 arene, 5,11,17,23,29,35-hexa-tert-butylcalix 6 arene-37,38,39,40,41,42-hexol, b9og173dmy, unii-b9og173dmy, 4-tert-butylcalix 6 arene CID PubChem: 335356 ChEBI: CHEBI:51251 SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O

CAS: 138-59-0 Formule moléculaire: C7H9O5- Poids moléculaire (g/mol): 173.144 Numéro MDL: MFCD00066278 Clé InChI: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonyme: 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid, unii-29ms2wi2nu, ccris 7681, --shikimate, 3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid, 3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid, l-shikimic acid, --shikimic acid, shikimate, shikimic acid CID PubChem: 7057976 ChEBI: CHEBI:36208 Nom IUPAC: (3R,4S,5R)-3,4,5-trihydroxycyclohexène-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O

CAS: 205652-55-7 Formule moléculaire: C42H36O24S6 Poids moléculaire (g/mol): 1117.09 Numéro MDL: MFCD00216907,MFCD00143376 Clé InChI: BXOUPTJVBGEDIR-UHFFFAOYSA-N Synonyme: hexasulfo hexahydroxy calix 6 arene, calix 6 arene-p-sulfonate, acmc-20m53e, 4-sulfonic calix 6 arene, hexahydroxycalix 6 arenehexasulfonic acid, 4-sulfocalix 6 arene hydrate, 4-sulfocalix 6 arene CID PubChem: 2724887 Nom IUPAC: 37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-5,11,17,23,29,35-hexasulfonic acid SMILES: OC1=C2CC3=CC(=CC(CC4=CC(=CC(CC5=C(O)C(CC6=C(O)C(CC7=C(O)C(CC1=CC(=C2)S(O)(=O)=O)=CC(=C7)S(O)(=O)=O)=CC(=C6)S(O)(=O)=O)=CC(=C5)S(O)(=O)=O)=C4O)S(O)(=O)=O)=C3O)S(O)(=O)=O

CAS: 12542-36-8 Formule moléculaire: C32H34O10 Poids moléculaire (g/mol): 578.614 Numéro MDL: MFCD00058385 Clé InChI: NIOHNDKHQHVLKA-UHFFFAOYSA-N Synonyme: gossypol-acetic acid complex, at-101 acetic acid, s-gossypol acetic acid, --gossypol acetic acid, acetate gossypol, gossypol acetic acid, gossypol acetate, gossypol-acetic acid CID PubChem: 227456 Nom IUPAC: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O

CAS: 108-80-5 Formule moléculaire: C3H3N3O3 Poids moléculaire (g/mol): 129.08 Numéro MDL: MFCD00082990 Clé InChI: ZFSLODLOARCGLH-UHFFFAOYSA-N Synonyme: isocyanurate acid, pseudocyanuric acid, 1,3,5-triazine-2,4,6 1h,3h,5h-trione, s-triazinetriol, sym-triazinetriol, tricyanic acid, trihydroxycyanidine, 1,3,5-triazine-2,4,6-triol, isocyanuric acid, cyanuric acid CID PubChem: 7956 ChEBI: CHEBI:38028 Nom IUPAC: 1,3,5-triazinane-2,4,6-trione SMILES: O=C1NC(=O)NC(=O)N1

CAS: 83-88-5 Formule moléculaire: C17H20N4O6 Poids moléculaire (g/mol): 376.37 Numéro MDL: MFCD00005022 Clé InChI: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonyme: flavaxin, beflavine, beflavin, --riboflavin, lactoflavine, vitamin g, riboflavine, lactoflavin, vitamin b2, riboflavin CID PubChem: 71310809 Nom IUPAC: 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1

CAS: 87-66-1 Formule moléculaire: C6H6O3 Poids moléculaire (g/mol): 126.11 Numéro MDL: MFCD00002192 Clé InChI: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonyme: piral, c.i. oxidation base 32, pyro, fourrine 85, fourrine pg, fouramine brown ap, 1,2,3-benzenetriol, pyrogallic acid, 1,2,3-trihydroxybenzene, pyrogallol CID PubChem: 1057 ChEBI: CHEBI:16164 Nom IUPAC: benzène-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O

CAS: 60705-62-6 Formule moléculaire: C44H56O4 Poids moléculaire (g/mol): 648.93 Numéro MDL: MFCD00066280 Clé InChI: NVKLTRSBZLYZHK-UHFFFAOYSA-N Synonyme: ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17,, 4-tert-butylcalix 4 arene 5g, p-tert-butylcalix 4 arene, tetratert-butyl ? tetrol, 4-t-butylcalix 4 arene, 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene, tetra-tert-butyl tetrahydroxy calix 4 arene, 4-tert-butylcalix 4 arene CID PubChem: 335377 Nom IUPAC: 5,11,17,23-tétra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodécane-25,26,27,28-tétrol SMILES: CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1

CAS: 87-66-1 Formule moléculaire: C6H6O3 Poids moléculaire (g/mol): 126.11 Numéro MDL: MFCD00002192 Clé InChI: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonyme: piral, c.i. oxidation base 32, pyro, fourrine 85, fourrine pg, fouramine brown ap, 1,2,3-benzenetriol, pyrogallic acid, 1,2,3-trihydroxybenzene, pyrogallol CID PubChem: 1057 ChEBI: CHEBI:16164 Nom IUPAC: benzène-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O

CAS: 138-59-0 Formule moléculaire: C₇H₁₀O₅ Poids moléculaire (g/mol): 174.15 Numéro MDL: MFCD00066278 Clé InChI: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonyme: 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid, unii-29ms2wi2nu, ccris 7681, --shikimate, 3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid, 3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid, l-shikimic acid, --shikimic acid, shikimate, shikimic acid CID PubChem: 7057976 ChEBI: CHEBI:36208 Nom IUPAC: (3R,4S,5R)-3,4,5-trihydroxycyclohexène-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O

CAS: 87-66-1 Formule moléculaire: C6H6O3 Poids moléculaire (g/mol): 126.11 Numéro MDL: MFCD00002192 Clé InChI: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonyme: piral, c.i. oxidation base 32, pyro, fourrine 85, fourrine pg, fouramine brown ap, 1,2,3-benzenetriol, pyrogallic acid, 1,2,3-trihydroxybenzene, pyrogallol CID PubChem: 1057 ChEBI: CHEBI:16164 Nom IUPAC: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O

CAS: 60705-62-6 Formule moléculaire: C44H56O4 Poids moléculaire (g/mol): 648.93 Numéro MDL: MFCD00066280 Clé InChI: NVKLTRSBZLYZHK-UHFFFAOYSA-N Synonyme: ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17,, 4-tert-butylcalix 4 arene 5g, p-tert-butylcalix 4 arene, tetratert-butyl ? tetrol, 4-t-butylcalix 4 arene, 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene, tetra-tert-butyl tetrahydroxy calix 4 arene, 4-tert-butylcalix 4 arene CID PubChem: 335377 Nom IUPAC: 5,11,17,23-tétra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodécane-25,26,27,28-tétrol SMILES: CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1

CAS: 138-59-0 Formule moléculaire: C7H9O5- Poids moléculaire (g/mol): 173.144 Numéro MDL: MFCD00066278 Clé InChI: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonyme: 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid, unii-29ms2wi2nu, ccris 7681, --shikimate, 3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid, 3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid, l-shikimic acid, --shikimic acid, shikimate, shikimic acid CID PubChem: 7057976 ChEBI: CHEBI:36208 Nom IUPAC: (3R,4S,5R)-3,4,5-trihydroxycyclohexène-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O

CAS: 51093-55-1 Formule moléculaire: C18H23N5O6 Poids moléculaire (g/mol): 405.411 Clé InChI: IGQLDUYTWDABFK-GUTXKFCHSA-N Synonyme: 1-deoxy-1-8-dimethylamino-7-methyl-2,4-dioxo-3,4-dihydrobenzo g pteridin-10 2h-yl-d-ribitol, 8-demethyl-8-dimethylamino riboflavin, roseoflavine, roseoflavin CID PubChem: 49867612 ChEBI: CHEBI:72346 Nom IUPAC: 8-(diméthylamino)-7-méthyl-10-[(2S,3S,4R)-2,3,4,5-tétrahydroxypentyl]benzo[g]ptéridine-2,4-dione SMILES: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O