Feedback

Punigluconin

Properties

Image

Occurences in reactions

MNX_ID

MNXM130092

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

formula

C₃₄H₂₆O₂₃

charge

mass

802.08649

reference

hmdb:HMDB0039202

InChIKey

KZEYIYXACMUTRM-UHFFFAOYSA-N

InChI

InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)56-28(29(30(48)49)57-32(51)9-3-14(37)22(43)15(38)4-9)27-18(41)7-54-33(52)10-5-16(39)23(44)25(46)19(10)20-11(34(53)55-27)6-17(40)24(45)26(20)47/h1-6,18,27-29,35-47H,7H2,(H,48,49)

SMILES

O=C(OC(C(=O)O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039202	Punigluconin 2,3-Di-O-galloyl-4,6-(S)-hexahydroxydiphenoylgluconic acid 3-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3-bis(3,4,5-trihydroxybenzoyloxy)propanoic acid 3-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl}-2,3-bis(3,4,5-trihydroxybenzoyloxy)propanoate
hmdb:HMDB39202	secondary/obsolete/fantasy identifier