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Punicacortein A

Properties

Image

Occurences in reactions

MNX_ID

MNXM130087

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

formula

C₂₇H₂₂O₁₈

charge

mass

634.08061

reference

hmdb:HMDB0039200

InChIKey

TXPZOUVETLGUPE-UHFFFAOYSA-N

InChI

InChI=1S/C27H22O18/c28-4-10(43-25(40)5-1-7(29)15(32)8(30)2-5)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(31)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2

SMILES

O=C(OC(CO)C(O)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3O)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039200	Punicacortein A 1-{2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6(11),7,9-hexaen-14-yl}-1,3-dihydroxypropan-2-yl 3,4,5-trihydroxybenzoate 1-{2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl}-1,3-dihydroxypropan-2-yl 3,4,5-trihydroxybenzoic acid
hmdb:HMDB39200	secondary/obsolete/fantasy identifier