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

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rutinose

	Properties	Image
MNX_ID	MNXM4810
reference	chebi:27522
formula	C₁₂H₂₂O₁₀
global charge	0
mol weight	326.298
InChIKey	OVVGHDNPYGTYIT-BNXXONSGSA-N
InChI	InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1
SMILES (mnx)	[CH3:1][C@H:3]1[C@H:5]([OH:13])[C@@H:7]([OH:15])[C@@H:10]([OH:18])[C@H:12]([O:20][CH2:2][C@@H:4]2[C@@H:6]([OH:14])[C@H:8]([OH:16])[C@@H:9]([OH:17])[C@H:11]([OH:19])[O:22]2)[O:21]1

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
Identifier	Description
CHEBI:27522 chebi:27522 OVVGHDNPYGTYIT-BNXXONSGSA-N	rutinose 6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose 6-O-alpha-L-rhamnopyranosyl-D-glucose Rutinose alpha-L-rhamnopyranosyl-(1->6)-D-glucose
kegg.compound:C08247 keggC:C08247 OVVGHDNPYGTYIT-BNXXONSGSA-N	Rutinose
hmdb:HMDB0302439 OVVGHDNPYGTYIT-BNXXONSGSA-N	Rutinose (2R,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol 6-O-(6-Deoxy-a-L-mannopyranosyl)-D-glucose 6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranose 6-O-(6-Deoxy-alpha-L-mannopyranosyl)-D-glucose 6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose 6-O-a-L-Rhamnopyranosyl-D-glucose 6-O-alpha-L-Rhamnopyranosyl-D-glucose 6-O-alpha-L-rhamnopyranosyl-D-glucose rutinose
seed.compound:cpd05165 seedM:cpd05165 OVVGHDNPYGTYIT-BNXXONSGSA-N	Rutinose (alpha-rhamnopyranosyl-beta-glucopyranose 6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside rutinose
metacyc.compound:CPD-12733 metacycM:CPD-12733 OVVGHDNPYGTYIT-BNXXONSGSA-N	rutinose 6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranose
chebi:26586 chebi:8924 keggC:M_C08247 seedM:M_cpd05165	secondary/obsolete/fantasy identifier