EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211700 - Arugosin P

ChEBI IDCHEBI:211700
ChEBI NameArugosin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42O8
Net Charge0
Average Mass566.691
Monoisotopic Mass566.28797
SMILESCOC1Oc2ccc(C/C=C(\C)CC/C=C(\C)CCC(OC(C)=O)C(C)(C)O)c(O)c2C(=O)c2c(O)cc(C)cc21
InChIInChI=1S/C33H42O8/c1-19(9-8-10-20(2)12-16-27(33(5,6)38)40-22(4)34)11-13-23-14-15-26-29(30(23)36)31(37)28-24(32(39-7)41-26)17-21(3)18-25(28)35/h10-11,14-15,17-18,27,32,35-36,38H,8-9,12-13,16H2,1-7H3/b19-11+,20-10+
InChIKeyPDPCNBRIXHVERZ-CWGBCDKESA-N
ChEBI Ontology
Outgoing Relation(s)
Arugosin P (CHEBI:211700) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
[(6E,10E)-12-(1,10-dihydroxy-6-methoxy-8-methyl-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)-2-hydroxy-2,6,10-trimethyldodeca-6,10-dien-3-yl] acetate