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Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM42317

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

formula

C₃₇H₃₄O₂₀

charge

mass

798.16434

reference

lipidmapsM:LMPK12110405

InChIKey

LNCLTICCQWMCNS-OKGKIDHDSA-N

InChI

InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30?,31?,32?,33?,36+,37-/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](Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3)OC(C(=O)O)[C@@H](O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12110405 lipidmapsM:LMPK12110405	Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-glucuronide
hmdb:HMDB0038295	Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 6-({6-carboxy-2-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylate 6-({6-carboxy-2-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-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-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
hmdb:HMDB38295	secondary/obsolete/fantasy identifier