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fagopyritol B1

PropertiesImage
MNX_IDMNXM11545 Image of MNXM11545
referencechebi:133330
formulaC12H22O11
global charge0
mol weight342.297
InChIKeyVCWMRQDBPZKXKG-ADKCXELFSA-N
InChIInChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1
SMILESOC[C@H]1O[C@H](O[C@H]2[C@@H](O)[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/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1 Image of MNXM11545
SMILES (mnx)[CH2:1]([C@@H:2]1[C@H:3]([OH:14])[C@H:4]([OH:15])[C@@H:10]([OH:21])[C@@H:12]([O:23][C@@H:11]2[C@@H:8]([OH:19])[C@H:6]([OH:17])[C@@H:5]([OH:16])[C@@H:7]([OH:18])[C@@H:9]2[OH:20])[O:22]1)[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133330
chebi:133330
VCWMRQDBPZKXKG-ADKCXELFSA-N 		fagopyritol B1
(1S,2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl alpha-D-galactopyranoside
2-O-alpha-D-galactopyranosyl-D-chiro-inositol
2-O-alpha-D-galactosyl-D-chiro-inositol
O-alpha-D-galactopyranosyl-(1->2)-1D-chiro-inositol
O-alpha-D-galactosyl-(1->2)-1D-chiro-inositol

seed.compound:cpd25111
seedM:cpd25111
VCWMRQDBPZKXKG-ADKCXELFSA-N 		2-O-alpha-D-galactopyranosyl-D-chiro-inositol
O-alpha-D-galactopyranosyl-(1->2)-1D-chiro-inositol
fagopyritol B1

metacyc.compound:CPD-8253
metacycM:CPD-8253
VCWMRQDBPZKXKG-ADKCXELFSA-N 		fagopyritol B1
2-O-alpha-D-galactopyranosyl-D-chiro-inositol
O-alpha-D-galactopyranosyl-(1->2)-1D-chiro-inositol

seedM:M_cpd25111 		secondary/obsolete/fantasy identifier