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CHEBI:198662 - Cyrneine C

ChEBI IDCHEBI:198662
ChEBI NameCyrneine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC(C)C1=CC(=O)[C@]2(C)CC[C@@]3(C)C(=O)CC(C=O)=CC[C@@H]3[C@H]12
InChIInChI=1S/C20H26O3/c1-12(2)14-10-17(23)20(4)8-7-19(3)15(18(14)20)6-5-13(11-21)9-16(19)22/h5,10-12,15,18H,6-9H2,1-4H3/t15-,18+,19-,20+/m1/s1
InChIKeyUVDJGUGLTDSECX-NMLACTOBSA-N
Species of MetaboliteComponentSourceComments
Sarcodon cyrneus (ncbitaxon:2784340) - PubMed (17320402)
ChEBI Ontology
Outgoing Relation(s)
Cyrneine C (CHEBI:198662) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,10aR,10bR)-3a,5a-dimethyl-3,6-dioxo-1-propan-2-yl-4,5,7,10,10a,10b-hexahydrocyclohepta[e]indene-8-carbaldehyde
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20570759ChemSpider