CHEBI:220458 - Zythiostromic acid B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Zythiostromic acid B
ChEBI ID CHEBI:220458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=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
InChIKey GZPZXZUSDUMPJQ-AAAYVJRRSA-N
SMILES O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@H]3[C@H]([C@H](C(=C)CC3)C=C)CC2)(CC[C@H]1O)C)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
8768221 ChemSpider
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