3-heptaprenyl-4-hydroxybenzoate

Chemical Formula:

C₄₂H₆₁O₃

Molecular Weight:

613.942 Daltons

Monoisotopic Mass:

614.4698958565 Daltons

SMILES:

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

InChI:

1S/C42H62O3/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42(44)45)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,43H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,44,45)/p-1/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+

InChIKey:

PEMFGDIFKKXFRG-PYHSYOTJSA-M

Databases

MetaCyc: CPD-9852

ChEBI: 84496

PubChem (CID): 54740346

Seed: cpd25872

MetaNetX: MNXM8112