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CHEBI:199217 - Cyrneine D

ChEBI IDCHEBI:199217
ChEBI NameCyrneine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCC(C)C1=CC(=O)[C@]2(C)CC[C@@]3(C)C(=O)CC(C=O)=CC[C@@H]3[C@]12O
InChIInChI=1S/C20H26O4/c1-12(2)14-10-17(23)19(4)8-7-18(3)15(20(14,19)24)6-5-13(11-21)9-16(18)22/h5,10-12,15,24H,6-9H2,1-4H3/t15-,18+,19-,20+/m0/s1
InChIKeyGQLHFHBRWGRYNE-JOCLIGHLSA-N
Species of MetaboliteComponentSourceComments
Sarcodon cyrneus (ncbitaxon:2784340) - PubMed (17320402)
ChEBI Ontology
Outgoing Relation(s)
Cyrneine D (CHEBI:199217) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,10aS,10bS)-10b-hydroxy-3a,5a-dimethyl-3,6-dioxo-1-propan-2-yl-5,7,10,10a-tetrahydro-4H-cyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
23285093ChemSpider