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Gaultherin

Properties

Image

Occurences in reactions

MNX_ID

MNXM531911

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₉H₂₆O₁₂

charge

mass

446.14243

reference

chebi:139449

InChIKey

VHUNCYDAXJGCLO-AHMNSWSSSA-N

InChI

InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1

SMILES

COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:139449 chebi:139449	Gaultherin
metacyc.compound:CPD-19215 metacycM:CPD-19215 seed.compound:cpd32086 seedM:cpd32086	methylsalicylate O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside methylsalicylate beta-primeveroside methylsalicylate-GX
seedM:M_cpd32086	secondary/obsolete/fantasy identifier