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CHEBI:139464 - N-{(2E)-3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propenoyl}glutamic acid

ChEBI IDCHEBI:139464
ChEBI NameN-{(2E)-3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propenoyl}glutamic acid
Stars
ASCII NameN-{(2E)-3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propenoyl}glutamic acid
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC25H27NO10
Net Charge0
Average Mass501.488
Monoisotopic Mass501.16350
SMILESCOc1cc(C2Oc3c(OC)cc(/C=C/C(=O)NC(CCC(=O)O)C(=O)O)cc3C2CO)ccc1O
InChIInChI=1S/C25H27NO10/c1-34-19-11-14(4-6-18(19)28)23-16(12-27)15-9-13(10-20(35-2)24(15)36-23)3-7-21(29)26-17(25(32)33)5-8-22(30)31/h3-4,6-7,9-11,16-17,23,27-28H,5,8,12H2,1-2H3,(H,26,29)(H,30,31)(H,32,33)/b7-3+
InChIKeyVWYFHPLNVVPMNO-XVNBXDOJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(2E)-3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propenoyl}glutamic acid (CHEBI:139464) is a benzofurans (CHEBI:35259)
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