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CHEBI:204749 - Cyrneine B

ChEBI IDCHEBI:204749
ChEBI NameCyrneine B
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(=CC=C(C=O)C[C@@H]3O)[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/h5-6,10-12,16,22,24H,7-9H2,1-4H3/t16-,18+,19-,20+/m0/s1
InChIKeyKGWCGHWCRHXTPS-OJAHFUOMSA-N
Species of MetaboliteComponentSourceComments
Sarcodon cyrneus (ncbitaxon:2784340) - PubMed (16881016)
ChEBI Ontology
Outgoing Relation(s)
Cyrneine B (CHEBI:204749) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,6S,10bR)-6,10b-dihydroxy-3a,5a-dimethyl-3-oxo-1-propan-2-yl-4,5,6,7-tetrahydrocyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
10172892ChemSpider