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apigenin-7-O-gentiobioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM114651

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₃₀O₁₅

charge

mass

594.15847

reference

chebi:145768

InChIKey

XDMJJZUUHWWITI-IPOZFMEPSA-N

InChI

InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1

SMILES

O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145768 chebi:145768	apigenin-7-O-gentiobioside 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside apigenin 7-O-Glc-(1->6)-Glc apigenin 7-O-gentiobioside
metacyc.compound:CPD-14824 metacycM:CPD-14824 seed.compound:cpd33136 seedM:cpd33136	apigenin-7-O-gentiobioside
seedM:M_cpd33136	secondary/obsolete/fantasy identifier