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CHEBI:81239 - Cinncassiol C1

ChEBI IDCHEBI:81239
ChEBI NameCinncassiol C1
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DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESC[C@@H](CO)C1=CC(=O)[C@@]2(C)C[C@]3(O)O[C@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@@]42O
InChIInChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3/t10-,11-,14+,16?,17-,18-,19-,20-/m0/s1
InChIKeyBKRBOORGXGTRIL-VYBQUAJNSA-N
ChEBI Ontology
Outgoing Relation(s)
Cinncassiol C1 (CHEBI:81239) is a sesquiterpenoid (CHEBI:26658)
Manual XrefsDatabases
C17643KEGG COMPOUND