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CHEBI:62765 - β-D-glucosyl crocetin
| Formula | C26H34O9 |
| Net Charge | 0 |
| Average Mass | 490.549 |
| Monoisotopic Mass | 490.22028 |
| SMILES | CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1 |
| InChIKey | ZVGODNZUEWDIPM-YXRLTKITSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-glucosyl crocetin (CHEBI:62765) has functional parent crocetin (CHEBI:3918) |
| β-D-glucosyl crocetin (CHEBI:62765) has functional parent β-D-glucose (CHEBI:15903) |
| β-D-glucosyl crocetin (CHEBI:62765) is a dicarboxylic acid monoester (CHEBI:36244) |
| β-D-glucosyl crocetin (CHEBI:62765) is a β-D-glucoside (CHEBI:22798) |
| β-D-glucosyl crocetin (CHEBI:62765) is conjugate acid of β-D-glucosyl crocetin(1−) (CHEBI:62766) |
| Incoming Relation(s) |
| β-D-glucosyl crocetin(1−) (CHEBI:62766) is conjugate base of β-D-glucosyl crocetin (CHEBI:62765) |
| IUPAC Name |
|---|
| 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| crocetin β-D-glucosyl ester | ChEBI |
| all-trans-crocetin mono(β-D-glucosyl) ester | ChEBI |
| trans-crocetin β-D-glucosyl ester | ChEBI |
| crocetin β-D-glucopyranosyl ester | ChEBI |
| crocetin mono(β-D-glucosyl) ester | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-8663 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7783234 | Reaxys |
| Citations |
|---|