luteolin 7-O-β-D-diglucuronide

Chemical Formula:

C₂₇H₂₄O₁₈

Molecular Weight:

636.476 Daltons

Monoisotopic Mass:

638.1119140324 Daltons

SMILES:

C(C5(OC(OC1(C(C(C(C([O-])=O)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O))([O-])=O

InChI:

1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/p-2/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1

InChIKey:

PBBVWJQPAZYQDB-DBFWEQBMSA-L

Synonyms

luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]

Databases

MetaCyc: LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE

ChEBI: 57815

PubChem (CID): 46878427

HMDB: HMDB60297

KEGG: C12632

Seed: cpd09263

MetaNetX: MNXM2129

3DMET: B04662