Feedback

Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside

Properties

Image

Occurences in reactions

MNX_ID

MNXM58647

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

formula

C₄₄H₅₀O₂₅

charge

mass

978.26412

reference

lipidmapsM:LMPK12111824

InChIKey

JLYSGWXWSOZJMT-ZBCDQVLOSA-N

InChI

InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)26(15-47)66-44(40)68-39-33(55)28-20(49)11-19(12-21(28)63-38(39)17-4-6-18(48)7-5-17)62-43-41(36(58)32(54)25(14-46)65-43)69-42-37(59)34(56)30(52)24(13-45)64-42/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+/t24?,25?,26?,30-,31+,32+,34+,35?,36+,37?,40-,41?,42+,43-,44+/m1/s1

SMILES

COc1cc(/C=C/C(=O)O[C@@H]2C(O)[C@@H](O)C(CO)O[C@H]2Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12111824 lipidmapsM:LMPK12111824	Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside
hmdb:HMDB0038770	Kaempferol 3-(sinapoylglucoside) 7-sophoroside 2-[(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 2-[(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid 2-[(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside
hmdb:HMDB38770	secondary/obsolete/fantasy identifier