luteolin 7-O-[β-D-glucosyluronate-(1,2)-β-D-glucosiduronate]-4'-O-β-D-glucosiduronate

Chemical Formula:

C₃₃H₃₁O₂₄

Molecular Weight:

811.593 Daltons

Monoisotopic Mass:

814.1440020218 Daltons

SMILES:

C(C6(OC(OC5(=CC=C(C1(OC4(C(C(C=1)=O)=C(C=C(OC2(C(C(C(C(C([O-])=O)O2)O)O)OC3(OC(C(C(C3O)O)O)C([O-])=O)))C=4)O)))C=C5O))C(C(C6O)O)O))(=O)[O-]

InChI:

1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/p-3/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1

InChIKey:

AEYXZGCDWDUIKX-OFFAAIFBSA-K

Synonyms

luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]-4'-O-β-D-glucuronide
luteolin triglucuronide

Databases

MetaCyc: LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2

ChEBI: 58678

PubChem (CID): 46878438

HMDB: HMDB60296

Seed: cpd02981

MetaNetX: MNXM3650

KEGG: C04900