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CHEBI:211588 - Benditerpenoic acid

ChEBI IDCHEBI:211588
ChEBI NameBenditerpenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C(C)[C@@H]1CC[C@H](C)[C@H]2CC/C(C)=C/C[C@H](O)C(C(=O)O)=C[C@H]21
InChIInChI=1S/C20H30O3/c1-12(2)15-9-7-14(4)16-8-5-13(3)6-10-19(21)18(20(22)23)11-17(15)16/h6,11,14-17,19,21H,1,5,7-10H2,2-4H3,(H,22,23)/b13-6+,18-11?/t14-,15-,16+,17-,19-/m0/s1
InChIKeyJAPJJUWCCYKHOP-DAHPMHTDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CL12-4 (ncbitaxon:2810306) - PubMed (33780586)
ChEBI Ontology
Outgoing Relation(s)
Benditerpenoic acid (CHEBI:211588) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
(1R,4S,4aR,7E,10S,12aS)-10-hydroxy-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,9,10,12a-decahydrobenzo[10]annulene-11-carboxylic acid