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CHEBI:211706 - Arugosin Q

ChEBI IDCHEBI:211706
ChEBI NameArugosin Q
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SubmitterMetaboLights
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FormulaC32H42O7
Net Charge0
Average Mass538.681
Monoisotopic Mass538.29305
SMILESCOC1Oc2ccc(C/C=C(\C)CC/C=C(\C)CCC(OC)C(C)(C)O)c(O)c2C(=O)c2c(O)cc(C)cc21
InChIInChI=1S/C32H42O7/c1-19(9-8-10-20(2)12-16-26(37-6)32(4,5)36)11-13-22-14-15-25-28(29(22)34)30(35)27-23(31(38-7)39-25)17-21(3)18-24(27)33/h10-11,14-15,17-18,26,31,33-34,36H,8-9,12-13,16H2,1-7H3/b19-11+,20-10+
InChIKeyRAJYNQDFADNYNS-CWGBCDKESA-N
ChEBI Ontology
Outgoing Relation(s)
Arugosin Q (CHEBI:211706) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
1,10-dihydroxy-2-[(2E,6E)-11-hydroxy-10-methoxy-3,7,11-trimethyldodeca-2,6-dienyl]-6-methoxy-8-methyl-6H-benzo[c][1]benzoxepin-11-one