CHEBI:220802 - Cyathin W

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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 Cyathin W
ChEBI ID CHEBI:220802
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/c1-10(2)13-14-12-6-5-11(9-21)15(22)17(24)19(12,3)7-8-20(14,4)18(25)16(13)23/h5,10,12,15,17-18,21-22,24-25H,6-9H2,1-4H3/t12-,15-,17+,18-,19-,20-/m1/s1
InChIKey PBOOPUJZBAKVMB-FIZZSBNSSA-N
SMILES O=C1C(=C2[C@@H]3[C@@]([C@@H](O)[C@H](O)C(=CC3)CO)(C)CC[C@]2([C@@H]1O)C)C(C)C
Metabolite of Species Details
Cyathus africanus (NCBI:txid380649) See: PubMed
ChEBI Ontology
Outgoing Cyathin W (CHEBI:220802) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3S,3aR,5aR,6R,7R,10aR)-3,6,7-trihydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-4,5,6,7,10,10a-hexahydro-3H-cyclohepta[e]inden-2-one
Manual Xref Database
78441185 ChemSpider
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