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(2S)-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)butane

Properties

Image

Occurences in reactions

MNX_ID

MNXM114994

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

formula

C₁₅H₂₈O₁₀

charge

mass

368.16825

reference

metacycM:CPD-15071

InChIKey

DANFNCOJRRFMIO-RVIAKIMPSA-N

InChI

InChI=1S/C15H28O10/c1-3-7(2)24-13-11(19)10(18)9(17)8(25-13)4-22-14-12(20)15(21,5-16)6-23-14/h7-14,16-21H,3-6H2,1-2H3/t7?,8-,9-,10+,11-,12+,13-,14-,15-/m1/s1

SMILES

CCC(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-15071 metacycM:CPD-15071 seed.compound:cpd31885 seedM:cpd31885	(2S)-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)butane beta-D-glucopyranoside, (1S)-1-methylpropyl 6-O-D-apio-beta-D-furanosyl-
hmdb:HMDB0041255	(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 2-(butan-2-yloxy)-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(sec-butoxy)oxane-3,4,5-triol
CHEBI:168098 chebi:168098	(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 2-butan-2-yloxy-6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
hmdb:HMDB41255 seedM:M_cpd31885	secondary/obsolete/fantasy identifier