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3-Methylellagic acid 8-(4-acetylrhamnoside)

Properties

Image

Occurences in reactions

MNX_ID

MNXM117558

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

formula

C₂₃H₂₀O₁₃

charge

mass

504.09039

reference

hmdb:HMDB0037082

InChIKey

BQACUXSQZVEJCN-UHFFFAOYSA-N

InChI

InChI=1S/C23H20O13/c1-6-16(33-7(2)24)14(27)15(28)23(32-6)36-18-11(26)5-9-13-12-8(22(30)35-20(13)18)4-10(25)17(31-3)19(12)34-21(9)29/h4-6,14-16,23,25-28H,1-3H3

SMILES

COc1c(O)cc2c(=O)oc3c(OC4OC(C)C(OC(C)=O)C(O)C4O)c(O)cc4c(=O)oc1c2c34

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0037082	3-Methylellagic acid 8-(4-acetylrhamnoside) 3-Methylellagate 8-(4-acetylrhamnoside) 6-({6,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl acetate 6-({6,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl acetic acid
hmdb:HMDB37082	secondary/obsolete/fantasy identifier