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CHEBI:215014 - Cyathin A4

ChEBI IDCHEBI:215014
ChEBI NameCyathin A4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC(CO)C1=C2[C@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C20H30O4/c1-12(10-21)14-4-5-19(2)6-7-20(3)15(18(14)19)9-16(23)13(11-22)8-17(20)24/h8,12,15-16,21-23H,4-7,9-11H2,1-3H3/t12?,15-,16-,19-,20-/m1/s1
InChIKeySBABRWMIXWNDTO-YXDXTEDTSA-N
Species of MetaboliteComponentSourceComments
Cyathus helenae (ncbitaxon:380658) - PubMed (5156938)
ChEBI Ontology
Outgoing Relation(s)
Cyathin A4 (CHEBI:215014) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-1-(1-hydroxypropan-2-yl)-3a,5a-dimethyl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one
Manual XrefsDatabases
78438604ChemSpider