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CHEBI:182544 - [9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] benzoate

ChEBI IDCHEBI:182544
ChEBI Name[9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] benzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCC1(CO)CCCC2(C)C1C(OC(=O)c1ccccc1)C=C1C(=O)OCC12O
InChIInChI=1S/C22H26O6/c1-20(12-23)9-6-10-21(2)17(20)16(11-15-19(25)27-13-22(15,21)26)28-18(24)14-7-4-3-5-8-14/h3-5,7-8,11,16-17,23,26H,6,9-10,12-13H2,1-2H3
InChIKeyBHSDLJXQKBYFNH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] benzoate (CHEBI:182544) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] benzoate
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