capsaicin

Chemical Formula:

C₁₈H₂₇NO₃

Molecular Weight:

305.416 Daltons

Monoisotopic Mass:

305.19909373819996 Daltons

SMILES:

CC(C=CCCCCC(NCC1(C=CC(=C(C=1)OC)O))=O)C

InChI:

1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

InChIKey:

YKPUWZUDDOIDPM-SOFGYWHQSA-N

Databases

MetaCyc: CAPSAICIN

DRUGBANK: DB05318

MetaboLights: MTBLC3374

HMDB: HMDB02227

ChemSpider: 1265957

ChEBI: 3374

PubChem (CID): 1548943

KEGG: C06866

RefMet: Capsaicin

Seed: cpd04218

MetaNetX: MNXM10879