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CHEBI:16147 - 11-O-demethyl-17-O-deacetylvindoline
| Formula | C22H28N2O5 |
| Net Charge | 0 |
| Average Mass | 400.475 |
| Monoisotopic Mass | 400.19982 |
| SMILES | [H][C@@]12N(C)c3cc(O)ccc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](O)[C@]2(O)C(=O)OC)[C@]13[H] |
| InChI | InChI=1S/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3/t16-,17+,18+,20+,21+,22-/m0/s1 |
| InChIKey | MNCVVTFLNVITRD-RLFCDOPRSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) has functional parent vindoline (CHEBI:16380) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a methyl ester (CHEBI:25248) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a secondary alcohol (CHEBI:35681) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a tertiary alcohol (CHEBI:26878) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is a vinca alkaloid (CHEBI:27288) |
| 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) is conjugate base of 11-O-demethyl-17-O-deacetylvindolinium(1+) (CHEBI:57657) |
| Incoming Relation(s) |
| 11-O-demethyl-17-O-deacetylvindolinium(1+) (CHEBI:57657) is conjugate acid of 11-O-demethyl-17-O-deacetylvindoline (CHEBI:16147) |
| IUPAC Name |
|---|
| methyl 3β,4β,16-trihydroxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidine-3α-carboxylate |
| Synonyms | Source |
|---|---|
| 11-O-Demethyl-17-O-deacetylvindoline | KEGG COMPOUND |
| 11-O-demethyl-17-O-deacetylvindoline | ChEBI |