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CHEBI:81271 - Neoarctin A

ChEBI IDCHEBI:81271
ChEBI NameNeoarctin A
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DownloadsMolfile
FormulaC42H46O12
Net Charge0
Average Mass742.818
Monoisotopic Mass742.29893
SMILESCOc1ccc(CC2COC(=O)C2Cc2ccc(Oc3ccc(CC4C(=O)OCC4Cc4cc(OC)c(O)c(OC)c4)cc3OC)c(OC)c2)cc1OC
InChIInChI=1S/C42H46O12/c1-46-32-10-7-24(17-35(32)47-2)13-28-22-52-41(44)30(28)15-25-8-11-33(36(18-25)48-3)54-34-12-9-26(19-37(34)49-4)16-31-29(23-53-42(31)45)14-27-20-38(50-5)40(43)39(21-27)51-6/h7-12,17-21,28-31,43H,13-16,22-23H2,1-6H3
InChIKeyUZWZHUIBKPSRGH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoarctin A (CHEBI:81271) is a lignan (CHEBI:25036)
Manual XrefsDatabases
C17682KEGG COMPOUND