3-hexaprenyl-4-hydroxybenzoate

Chemical Formula:

C₃₇H₅₃O₃

Molecular Weight:

545.824 Daltons

Monoisotopic Mass:

546.4072955997 Daltons

SMILES:

CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C

InChI:

1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/p-1/b29-15+,30-17+,31-19+,32-21+,33-23+

InChIKey:

LKMQQQABIGIHGL-LAAQXVIISA-M

Databases

MetaCyc: 3-HEXAPRENYL-4-HYDROXYBENZOATE

ChEBI: 84492

HMDB: HMDB06816

PubChem (CID): 54740358

KEGG: C13425

Reactome: 2162330

Seed: cpd09429

MetaNetX: MNXM3167