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CHEBI:217674 - Zythiostromic acid C

ChEBI IDCHEBI:217674
ChEBI NameZythiostromic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESC=C[C@H]1C(=C)CC[C@H]2[C@@]1(O)[C@@H](O)C[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C
InChIInChI=1S/C20H30O6/c1-5-12-11(2)6-7-13-17(3)9-8-14(21)18(4,16(23)24)19(17,25)10-15(22)20(12,13)26/h5,12-15,21-22,25-26H,1-2,6-10H2,3-4H3,(H,23,24)/t12-,13+,14+,15-,17+,18+,19-,20+/m0/s1
InChIKeyDOOJPBCOLMBTDD-IBOBKPCDSA-N
Species of MetaboliteComponentSourceComments
Nectria (ncbitaxon:5133) - PubMed (29621598)
ChEBI Ontology
Outgoing Relation(s)
Zythiostromic acid C (CHEBI:217674) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1S,2R,4aR,4bR,8S,8aS,9S,10aS)-8-ethenyl-2,8a,9,10a-tetrahydroxy-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,9,10-octahydro-2H-phenanthrene-1-carboxylic acid