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CHEBI:70124 - (2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-

ChEBI IDCHEBI:70124
ChEBI Name(2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-
Stars
DefinitionA natural product found in Stemona aphylla.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H31NO6
Net Charge0
Average Mass405.491
Monoisotopic Mass405.21514
SMILES[H][C@@]12CCN3[C@]1(C[C@@H](O)CC)[C@]1([H])C[C@@]3([H])[C@@]3([H])[C@H](C)[C@@]([H])([C@@]4([H])OC(=O)C(C)=C4OC)O[C@]23O1
InChIInChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3/t10-,12-,13-,14+,15-,16+,18-,19-,21-,22+/m0/s1
InChIKeyLZIYZPJJVMGBPX-IWWHZBOVSA-N
Species of MetaboliteComponentSourceComments
Stemona aphylla (ncbitaxon:492013) root (BTO:0001188) PubMed (21126060) 95% Ethanolic extract of ground, dried roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
(2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)- (CHEBI:70124) has role metabolite (CHEBI:25212)
(2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)- (CHEBI:70124) is a alkaloid (CHEBI:22315)
Citations