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CHEBI:6086 - Jatrophone

ChEBI IDCHEBI:6086
ChEBI NameJatrophone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H24O3
Net Charge0
Average Mass312.409
Monoisotopic Mass312.17254
SMILESCC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O
InChIInChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9-/t12-,20+/m0/s1
InChIKeyMJNNONLDVCCGCA-ZQHAHMAHSA-N
ChEBI Ontology
Outgoing Relation(s)
Jatrophone (CHEBI:6086) is a oxolanes (CHEBI:26912)
Synonym  Source
JatrophoneKEGG COMPOUND
Manual XrefsDatabases
C09120KEGG COMPOUND
C00003446KNApSAcK
Registry NumbersSources
CAS:29444-03-9KEGG COMPOUND