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CHEBI:215353 - 3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid

ChEBI IDCHEBI:215353
ChEBI Name3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC=C[C@@H]1C(=C)CC[C@H]2[C@@]1(O)CC[C@]1(O)[C@]2(C)CC[C@@H](O)[C@@]1(C)C(=O)O
InChIInChI=1S/C20H30O5/c1-5-13-12(2)6-7-14-17(3)9-8-15(21)18(4,16(22)23)20(17,25)11-10-19(13,14)24/h5,13-15,21,24-25H,1-2,6-11H2,3-4H3,(H,22,23)/t13-,14-,15-,17-,18+,19-,20+/m1/s1
InChIKeyMECXSJIILFRSID-XSINAMBDSA-N
Species of MetaboliteComponentSourceComments
Albatrellopsis confluens (ncbitaxon:2925186) - PubMed (19721259)
ChEBI Ontology
Outgoing Relation(s)
3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid (CHEBI:215353) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1R,2R,4aR,4bR,8R,8aS,10aS)-8-ethenyl-2,8a,10a-trihydroxy-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,9,10-octahydro-2H-phenanthrene-1-carboxylic acid
Manual XrefsDatabases
28286759ChemSpider