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CHEBI:46690 - reserpic acid

ChEBI IDCHEBI:46690
ChEBI Namereserpic acid
Stars
Last Modified25 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H28N2O5
Net Charge0
Average Mass400.475
Monoisotopic Mass400.19982
SMILES[H][C@]12C[C@@H](O)[C@H](OC)[C@@H](C(=O)O)[C@@]1([H])C[C@]1([H])c3nc4cc(OC)ccc4c3CCN1C2
InChIInChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1
InChIKeyJVHNBFFHWQQPLL-WOXROFTLSA-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)
reserpic acid (CHEBI:46690) is a yohimban alkaloid (CHEBI:27358)
Incoming Relation(s)
reserpine (CHEBI:28487) has functional parent reserpic acid (CHEBI:46690)
IUPAC Name 
(3β,16β,17α,18β,20α)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
Synonyms  Source
reserpic acidChemIDplus
reserpinolic acidChemIDplus
18β-hydroxy-11,17α-dimethoxy-3β,20α-yohimban-16β-carboxylic acidChemIDplus
Manual XrefsDatabases
LSM-2712LINCS
Registry NumbersSources
Beilstein:98529Beilstein
CAS:83-60-3ChemIDplus