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CHEBI:200106 - Allocyafrin B4

ChEBI IDCHEBI:200106
ChEBI NameAllocyafrin B4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)C1=CC(=O)[C@]2(C)CC[C@@]3(C)C(=O)C=C(CO)[C@H](O)C[C@@H]3C12
InChIInChI=1S/C20H28O4/c1-11(2)13-8-17(24)20(4)6-5-19(3)14(18(13)20)9-15(22)12(10-21)7-16(19)23/h7-8,11,14-15,18,21-22H,5-6,9-10H2,1-4H3/t14-,15-,18?,19-,20+/m1/s1
InChIKeySRUVAUDOCNEFJS-VLEKXVRISA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1139/v78-345)
ChEBI Ontology
Outgoing Relation(s)
Allocyafrin B4 (CHEBI:200106) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-4,5,9,10,10a,10b-hexahydrocyclohepta[e]indene-3,6-dione
Manual XrefsDatabases
78442500ChemSpider