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Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM60672

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₃H₄₂O₂₇

charge

mass

990.19135

reference

lipidmapsM:LMPK12110719

InChIKey

SPAFPIYZLSWKDV-ZNLOQVMKSA-N

InChI

InChI=1S/C43H42O27/c1-62-22-8-13(2-5-16(22)44)3-7-24(48)66-36-30(53)28(51)35(40(60)61)69-43(36)70-37-31(54)29(52)34(39(58)59)68-42(37)63-15-10-18(46)25-19(47)12-21(64-23(25)11-15)14-4-6-20(17(45)9-14)65-41-32(55)26(49)27(50)33(67-41)38(56)57/h2-12,26-37,41-46,49-55H,1H3,(H,56,57)(H,58,59)(H,60,61)/b7-3+/t26?,27-,28-,29-,30-,31-,32?,33-,34?,35?,36?,37?,41+,42+,43-/m0/s1

SMILES

COc1cc(/C=C/C(=O)OC2[C@@H](O)[C@H](O)C(C(=O)O)O[C@H]2OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)C(O)C6O)c(O)c5)oc4c3)OC(C(=O)O)[C@@H](O)[C@@H]2O)ccc1O

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12110719 lipidmapsM:LMPK12110719	Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide
hmdb:HMDB0038045	Luteolin 7-[E-feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4'-glucuronide 6-({6-carboxy-2-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid 6-({6-carboxy-2-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-5-hydroxy-4-oxochromen-7-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid 6-{4-[7-({6-carboxy-3-[(6-carboxy-4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylate
hmdb:HMDB38045	secondary/obsolete/fantasy identifier