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CHEBI:181601 - 6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one

ChEBI IDCHEBI:181601
ChEBI Name6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C2C=C(CO)C(CO)CCC2(C)CCC1=O
InChIInChI=1S/C15H22O3/c1-10-13-7-12(9-17)11(8-16)3-5-15(13,2)6-4-14(10)18/h7,11,16-17H,3-6,8-9H2,1-2H3
InChIKeyDPBOXKYWJVXMAW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one (CHEBI:181601) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
6,7-bis(hydroxymethyl)-4,9a-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one
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22369916ChemSpider