CHEBI:210096 - Cyathin V

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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 V
ChEBI ID CHEBI:210096
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/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/h5,10,12,15-18,21-25H,6-9H2,1-4H3/t12-,15-,16+,17+,18-,19-,20-/m1/s1
InChIKey QHJHSSDSBVKONF-HPWGRUBNSA-N
SMILES O[C@@H]1C(=CC[C@H]2[C@]([C@H]1O)(CC[C@@]3(C2=C([C@H](O)[C@H]3O)C(C)C)C)C)CO
Metabolite of Species Details
Cyathus africanus (NCBI:txid380649) See: PubMed
ChEBI Ontology
Outgoing Cyathin V (CHEBI:210096) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2S,3S,3aR,5aR,6R,7R,10aR)-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-2,3,4,5,6,7,10,10a-octahydrocyclohepta[e]indene-2,3,6,7-tetrol
Manual Xref Database
78441301 ChemSpider
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