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CHEBI:79 - (-)-Arctigenin

ChEBI IDCHEBI:79
ChEBI Name(-)-Arctigenin
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
InChIKeyNQWVSMVXKMHKTF-JKSUJKDBSA-N
ChEBI Ontology
Outgoing Relation(s)
(-)-Arctigenin (CHEBI:79) is a lignan (CHEBI:25036)
Synonym  Source
(−)-arctigeninKEGG COMPOUND
Manual XrefsDatabases
C10545KEGG COMPOUND
C00000609KNApSAcK
LSM-3183LINCS
HMDB0030087HMDB
Registry NumbersSources
CAS:7770-78-7KEGG COMPOUND