arctigenin

Chemical Formula:

C₂₁H₂₄O₆

Molecular Weight:

372.417 Daltons

Monoisotopic Mass:

372.15728850299996 Daltons

SMILES:

COC1(=C(C=C(C=C1)CC3(C(CC2(=CC=C(C(=C2)OC)O))C(OC3)=O))OC)

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

Synonyms

Databases

MetaCyc: CPD-17600

KEGG: C10545

KNApSAcK: C00000608

ChemSpider: 58506

ChEBI: 79

PubChem (CID): 64981

Seed: cpd07431

HMDB: HMDB30087

MetaNetX: MNXM42530