MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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inulobiose

	Properties	Image
MNX_ID	MNXM735467
reference	chebi:16751
formula	C₁₂H₂₂O₁₁
global charge	0
mol weight	342.297
InChIKey	WOHYVFWWTVNXTP-QPEGTHMASA-N
InChI	InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11?,12-/m1/s1
SMILES	OC[C@H]1OC(O)(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11?,12-/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:5]1[C@@H:7]([OH:16])[C@H:9]([OH:18])[C:11]([CH2:4][O:21][C@@:12]2([CH2:3][OH:15])[C@@H:10]([OH:19])[C@H:8]([OH:17])[C@@H:6]([CH2:2][OH:14])[O:23]2)([OH:20])[O:22]1)[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16751 chebi:16751 WOHYVFWWTVNXTP-QPEGTHMASA-N	inulobiose 1-O-beta-D-Fructo-furanosyl-D-fructose 1-O-beta-D-fructofuranosyl-D-fructose D-fructosyl-2,1-alpha-D-fructose Inulobiose beta-D-fructofuranosyl-(2->1)-D-fructose
kegg.compound:C01711 keggC:C01711 WOHYVFWWTVNXTP-QPEGTHMASA-N	Inulobiose 1-O-beta-D-Fructo-furanosyl-D-fructose
seed.compound:cpd01178 seedM:cpd01178 WOHYVFWWTVNXTP-QPEGTHMASA-N	Inulobiose 1-O-beta-D-Fructo-furanosyl-D-fructose inulobiose
metacyc.compound:INULOBIOSE metacycM:INULOBIOSE WOHYVFWWTVNXTP-QPEGTHMASA-N	inulobiose 1-O-beta-D-fructofuranosyl-D-fructose beta-D-fructofuranosyl-(2->1)-D-fructose
chebi:14459 chebi:24855 chebi:57881 chebi:5943 keggC:M_C01711 seedM:M_cpd01178	secondary/obsolete/fantasy identifier