CHEBI:79 - (-)-Arctigenin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (-)-Arctigenin
ChEBI ID CHEBI:79
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C21H24O6
C21H24O6
Net Charge 0
Average Mass 372.412
Monoisotopic Mass 372.157
InChI InChI=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
InChIKey NQWVSMVXKMHKTF-JKSUJKDBSA-N
SMILES COc1cc(C[C@@H]2[C@@H](Cc3ccc(OC)c(OC)c3)COC2=O)ccc1O
ChEBI Ontology
Outgoing (-)-Arctigenin (CHEBI:79) is a lignan (CHEBI:25036)
Synonym Source
(-)-Arctigenin KEGG COMPOUND
Manual Xrefs Databases
C00000609 KNApSAcK
C10545 KEGG COMPOUND
LSM-3183 LINCS
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Registry Number Type Source
7770-78-7 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016