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CHEBI:3532 - Centrolobine

ChEBI IDCHEBI:3532
ChEBI NameCentrolobine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H24O3
Net Charge0
Average Mass312.409
Monoisotopic Mass312.17254
SMILES[H][C@]1(CCc2ccc(O)cc2)CCC[C@@]([H])(c2ccc(OC)cc2)O1
InChIInChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1
InChIKeyVKLGDLFSGNHXAV-UXHICEINSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Centrolobine (CHEBI:3532) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
CentrolobineKEGG COMPOUND
Manual XrefsDatabases
C10436KEGG COMPOUND
C00002722KNApSAcK
Registry NumbersSources
CAS:1484-91-9KEGG COMPOUND