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CHEBI:220458 - Zythiostromic acid B

ChEBI IDCHEBI:220458
ChEBI NameZythiostromic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC=C[C@H]1C(=C)CC[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C
InChIInChI=1S/C20H30O4/c1-5-13-12(2)6-7-15-14(13)8-11-20(24)18(15,3)10-9-16(21)19(20,4)17(22)23/h5,13-16,21,24H,1-2,6-11H2,3-4H3,(H,22,23)/t13-,14-,15-,16+,18+,19+,20-/m0/s1
InChIKeyGZPZXZUSDUMPJQ-AAAYVJRRSA-N
ChEBI Ontology
Outgoing Relation(s)
Zythiostromic acid B (CHEBI:220458) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1S,2R,4aR,4bS,8R,8aR,10aS)-8-ethenyl-2,10a-dihydroxy-1,4a-dimethyl-7-methylidene-2,3,4,4b,5,6,8,8a,9,10-decahydrophenanthrene-1-carboxylic acid
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