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CHEBI:1322 - 3',4'-Anhydrovinblastine

ChEBI IDCHEBI:1322
ChEBI Name3',4'-Anhydrovinblastine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC46H56N4O8
Net Charge0
Average Mass792.974
Monoisotopic Mass792.40981
SMILES[H][C@@]12N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@H]5C=C(CC)C[N@@](CCc6c4nc4ccccc64)C5)cc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1
InChIKeyFFRFGVHNKJYNOV-DOVUUNBWSA-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)
3',4'-Anhydrovinblastine (CHEBI:1322) is a methyl ester (CHEBI:25248)
3',4'-Anhydrovinblastine (CHEBI:1322) is a vinca alkaloid (CHEBI:27288)
Synonyms  Source
3',4'-AnhydrovinblastineKEGG COMPOUND
anhydrovincaleukoblastineDrugCentral
Manual XrefsDatabases
C11641KEGG COMPOUND
219DrugCentral
Registry NumbersSources
CAS:38390-45-3KEGG COMPOUND