ω-carboxyphylloquinone

Chemical Formula:

C₃₁H₄₃O₄

Molecular Weight:

479.678 Daltons

Monoisotopic Mass:

480.3239599008 Daltons

SMILES:

CC(CCCC(C)CCCC(C)C(=O)[O-])CCCC(C)=CCC2(=C(C(=O)C1(C=CC=CC=1C2=O))C)

InChI:

1S/C31H44O4/c1-21(11-8-12-22(2)15-10-16-24(4)31(34)35)13-9-14-23(3)19-20-26-25(5)29(32)27-17-6-7-18-28(27)30(26)33/h6-7,17-19,21-22,24H,8-16,20H2,1-5H3,(H,34,35)/p-1/b23-19+

InChIKey:

WHEVDLSYJXZTSV-FCDQGJHFSA-M

Databases

MetaCyc: CPD-21320

PubChem (CID): 134820431