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CHEBI:213178 - Zythiostromic acid A

ChEBI IDCHEBI:213178
ChEBI NameZythiostromic acid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC=C[C@H]1C(=C)CC[C@H]2[C@H]1C[C@@H](O)[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C
InChIInChI=1S/C20H30O5/c1-5-12-11(2)6-7-14-13(12)10-16(22)20(25)18(14,3)9-8-15(21)19(20,4)17(23)24/h5,12-16,21-22,25H,1-2,6-10H2,3-4H3,(H,23,24)/t12-,13-,14-,15+,16+,18+,19+,20-/m0/s1
InChIKeyOJAGHAXHKQAOGI-CRXBOGTJSA-N
ChEBI Ontology
Outgoing Relation(s)
Zythiostromic acid A (CHEBI:213178) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1S,2R,4aR,4bS,8R,8aR,10R,10aS)-8-ethenyl-2,10,10a-trihydroxy-1,4a-dimethyl-7-methylidene-2,3,4,4b,5,6,8,8a,9,10-decahydrophenanthrene-1-carboxylic acid
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