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CHEBI:141539 - 2,6,9-trihydroxy-11-(1-hydroxy-2-propanyl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadec-11-ene-13,15-dione

ChEBI IDCHEBI:141539
ChEBI Name2,6,9-trihydroxy-11-(1-hydroxy-2-propanyl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadec-11-ene-13,15-dione
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Last Modified7 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESCC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(=O)C13C)C(O)C(C)CCC24O
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
InChIKeyBKRBOORGXGTRIL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,6,9-trihydroxy-11-(1-hydroxy-2-propanyl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1~7,10~.0~2,7~]pentadec-11-ene-13,15-dione (CHEBI:141539) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2,7a,11-trihydroxy-4-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-2,3,7,7a,8,9,10,11-octahydro-6H-2,7:3,11a-dimethano-1-benzoxonine-6,12-dione
Synonym  Source
Cinncassiol CChEBI
Manual XrefsDatabases
35013861ChemSpider
HMDB0035166HMDB