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CHEBI:229163 - Marchantin E

ChEBI IDCHEBI:229163
ChEBI NameMarchantin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26O6
Net Charge0
Average Mass470.521
Monoisotopic Mass470.17294
SMILESCOC1Cc2cccc(c2)Oc2c(O)cccc2CCc2ccc(cc2)Oc2cc1cc(O)c2O
InChIInChI=1S/C29H26O6/c1-33-26-15-19-4-2-6-23(14-19)35-29-20(5-3-7-24(29)30)11-8-18-9-12-22(13-10-18)34-27-17-21(26)16-25(31)28(27)32/h2-7,9-10,12-14,16-17,26,30-32H,8,11,15H2,1H3
InChIKeyFMXHHHCREWAZNN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Marchantin E (CHEBI:229163) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
8-methoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,5,17-triol
Manual XrefsDatabases
4477610ChemSpider