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2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane

PropertiesImage
MNX_IDMNXM116517 Image of MNXM116517
referencemetacycM:CPD-15066
formulaC14H26O10
global charge0
mol weight354.352
InChIKeyADFAUEYXQCOXBX-LYYOMZSZSA-N
InChIInChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3/t7-,8-,9+,10-,11+,12-,13-,14-/m1/s1
SMILESCC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3/t7-,8-,9+,10-,11+,12-,13-,14-/m1/s1 Image of MNXM116517
SMILES (mnx)[CH3:1][CH:6]([CH3:2])[O:23][C@H:12]1[C@H:10]([OH:18])[C@@H:9]([OH:17])[C@H:8]([OH:16])[C@@H:7]([CH2:3][O:21][C@H:13]2[C@H:11]([OH:19])[C@:14]([CH2:4][OH:15])([OH:20])[CH2:5][O:22]2)[O:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-15066
metacycM:CPD-15066
seed.compound:cpd32561
seedM:cpd32561
ADFAUEYXQCOXBX-LYYOMZSZSA-N 		2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane
beta-D-glucopyranoside, 1-methylethyl 6-O-D-apio-beta-D-furanosyl-
hmdb:HMDB0041513
ADFAUEYXQCOXBX-UHFFFAOYSA-N 		Isopropyl apiosylglucoside
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(propan-2-yloxy)oxane-3,4,5-triol
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-isopropoxyoxane-3,4,5-triol

CHEBI:168053
chebi:168053
ADFAUEYXQCOXBX-UHFFFAOYSA-N 		Isopropyl apiosylglucoside
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol

hmdb:HMDB41513
seedM:M_cpd32561 		secondary/obsolete/fantasy identifier