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solabiose

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1118786

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

formula

C₁₂H₂₂O₁₁

charge

mass

342.297

reference

chebi:155139

InChIKey

QIGJYVCQYDKYDW-KQBIKJCISA-N

InChI

InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10+,11?,12+/m1/s1

SMILES

[CH2:1]([C@@H:3]1[C@@H:5]([OH:15])[C@H:7]([OH:17])[C@@H:8]([OH:18])[C@H:12]([O:23][C@H:10]2[C@@H:6]([OH:16])[C@@H:4]([CH2:2][OH:14])[O:21][CH:11]([OH:20])[C@@H:9]2[OH:19])[O:22]1)[OH:13]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:155139 chebi:155139	solabiose (3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol 3-O-beta-D-glucopyranosyl-D-galactopyranose Glc(b1-3)Gal WURCS=2.0/2,2,1/[a2112h-1x_1-5][a2122h-1b_1-5]/1-2/a3-b1 beta-D-Glcp-(1->3)-D-Galp beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose
kegg.compound:C22512 keggC:C22512	Solabiose
keggC:M_C22512	secondary/obsolete/fantasy identifier