D-glucuronosyl-(4E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoate

Chemical Formula:

C₂₄H₂₅O₁₀

Molecular Weight:

473.455 Daltons

Monoisotopic Mass:

474.15259705560004 Daltons

SMILES:

CC(=CCC2(=C(C)C(=O)C1(C=CC=CC=1C(=O)2)))CCC(=O)OC3(C(O)C(O)C(O)C(C(=O)[O-])O3)

InChI:

1S/C24H26O10/c1-11(7-9-13-12(2)17(26)14-5-3-4-6-15(14)18(13)27)8-10-16(25)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h3-7,19-22,24,28-30H,8-10H2,1-2H3,(H,31,32)/p-1/b11-7+/t19-,20-,21+,22-,24+/m0/s1

InChIKey:

RBYLPTIJYJSFIM-BHKMITIOSA-M

Databases

MetaCyc: CPD-21318

PubChem (CID): 134820467