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CHEBI:220802 - Cyathin W

ChEBI IDCHEBI:220802
ChEBI NameCyathin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC(C)C1=C2[C@H]3CC=C(CO)[C@@H](O)[C@H](O)[C@]3(C)CC[C@@]2(C)[C@H](O)C1=O
InChIInChI=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
InChIKeyPBOOPUJZBAKVMB-FIZZSBNSSA-N
Species of MetaboliteComponentSourceComments
Cyathus africanus (ncbitaxon:380649) - PubMed (26022233)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78441185ChemSpider