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CHEBI:202464 - Cyafrin B4

ChEBI IDCHEBI:202464
ChEBI NameCyafrin B4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1=O
InChIInChI=1S/C20H28O4/c1-11(2)17-15(23)9-19(3)5-6-20(4)13(18(17)19)8-14(22)12(10-21)7-16(20)24/h7,11,13-14,21-22H,5-6,8-10H2,1-4H3/t13-,14-,19+,20-/m1/s1
InChIKeyJYAKMCSWIHRGGB-VPCNSNALSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1139/v78-345)
ChEBI Ontology
Outgoing Relation(s)
Cyafrin B4 (CHEBI:202464) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aS,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydrocyclohepta[e]indene-2,6-dione
Manual XrefsDatabases
78442547ChemSpider