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Gaultherin

PropertiesImage
MNX_IDMNXM531911 Image of MNXM531911
referencechebi:139449
formulaC19H26O12
global charge0
mol weight446.405
InChIKeyVHUNCYDAXJGCLO-AHMNSWSSSA-N
InChIInChI=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
SMILESCOC(=O)C1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM531911
SMILES (mnx)[CH3:1][O:27][C:17]([C:8]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:10]1[O:30][C@H:19]1[C@H:16]([OH:25])[C@@H:14]([OH:23])[C@H:13]([OH:22])[C@@H:11]([CH2:7][O:29][C@H:18]2[C@H:15]([OH:24])[C@@H:12]([OH:21])[C@H:9]([OH:20])[CH2:6][O:28]2)[O:31]1)=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:139449
chebi:139449
VHUNCYDAXJGCLO-AHMNSWSSSA-N 		Gaultherin
hmdb:HMDB0303042
VHUNCYDAXJGCLO-AHMNSWSSSA-N 		Monotropeoside
2-((6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy) benzoic acid methyl ester
Gaultherin
Methyl 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoic acid
methyl 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

metacyc.compound:CPD-19215
metacycM:CPD-19215
seed.compound:cpd32086
seedM:cpd32086
VHUNCYDAXJGCLO-AHMNSWSSSA-N 		methylsalicylate O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
methylsalicylate beta-primeveroside
methylsalicylate-GX

seedM:M_cpd32086 		secondary/obsolete/fantasy identifier