sanguinarine

Chemical Formula:

C₂₀H₁₄NO₄

Molecular Weight:

332.335 Daltons

Monoisotopic Mass:

332.092282943 Daltons

SMILES:

C[N+]2(C1(C5(=C(C=CC=1C3(C=CC4(OCOC(C(C=2)=3)=4)))C=C6(C(=C5)OCO6))))

InChI:

1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1

InChIKey:

INVGWHRKADIJHF-UHFFFAOYSA-N

Databases

MetaCyc: SANGUINARINE

MetaboLights: MTBLC17183

HMDB: HMDB29367

ChemSpider: 4970

PubChem (CID): 5154

KEGG: C06162

ChEBI: 17183

CAS: 2447-54-3

RefMet: Sanguinarine

Seed: cpd03677

MetaNetX: MNXM4103