CHEBI:217674 - Zythiostromic acid C

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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 C
ChEBI ID CHEBI:217674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O6
Net Charge 0
Average Mass 366.454
Monoisotopic Mass 366.20424
InChI InChI=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
InChIKey DOOJPBCOLMBTDD-IBOBKPCDSA-N
SMILES O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@H]3[C@](O)([C@H](C(=C)CC3)C=C)[C@H](C2)O)(CC[C@H]1O)C)C
Metabolite of Species Details
Nectria (NCBI:txid5133) See: PubMed
ChEBI Ontology
Outgoing 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