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CHEBI:197964 - Mariline A1

ChEBI IDCHEBI:197964
ChEBI NameMariline A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H43NO5
Net Charge0
Average Mass533.709
Monoisotopic Mass533.31412
SMILESCOc1ccc(N2C(=O)c3c(cc(OC/C=C(\C)CCC=C(C)C)c(C)c3OC)[C@H]2C)c(OCC=C(C)C)c1
InChIInChI=1S/C33H43NO5/c1-21(2)11-10-12-23(5)16-18-38-29-20-27-25(7)34(33(35)31(27)32(37-9)24(29)6)28-14-13-26(36-8)19-30(28)39-17-15-22(3)4/h11,13-16,19-20,25H,10,12,17-18H2,1-9H3/b23-16+/t25-/m1/s1
InChIKeyHKXBQPCKPGEUKH-OWXSRONMSA-N
Species of MetaboliteComponentSourceComments
Stachylidium (ncbitaxon:796327) - PubMed (22711513)
ChEBI Ontology
Outgoing Relation(s)
Mariline A1 (CHEBI:197964) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-2-[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]-3,6-dimethyl-3H-isoindol-1-one
Manual XrefsDatabases
29214704ChemSpider