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fagopyritol B2

PropertiesImage
MNX_IDMNXM11546 Image of MNXM11546
referencemetacycM:CPD-8254
formulaC18H32O16
global charge0
mol weight504.438
InChIKeyMWNCPUNLDATDBW-AKBNUTDMSA-N
InChIInChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-/m1/s1
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-/m1/s1 Image of MNXM11546
SMILES (mnx)[CH2:1]([C@@H:3]1[C@H:5]([OH:20])[C@H:7]([OH:22])[C@@H:14]([OH:29])[C@@H:17]([O:31][CH2:2][C@@H:4]2[C@H:6]([OH:21])[C@H:8]([OH:23])[C@@H:15]([OH:30])[C@@H:18]([O:34][C@@H:16]3[C@@H:12]([OH:27])[C@H:10]([OH:25])[C@@H:9]([OH:24])[C@@H:11]([OH:26])[C@@H:13]3[OH:28])[O:33]2)[O:32]1)[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-8254
metacycM:CPD-8254
MWNCPUNLDATDBW-AKBNUTDMSA-N 		fagopyritol B2
O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->2)-1D-chiro-inositol
hmdb:HMDB0035322
MWNCPUNLDATDBW-AKBNUTDMSA-N 		Fagopyritol B2
(1S,2R,3R,4R,5S,6S)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

seed.compound:cpd25112
seedM:cpd25112
MWNCPUNLDATDBW-AKBNUTDMSA-N 		O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->2)-1D-chiro-inositol
fagopyritol B2

hmdb:HMDB35322
seedM:M_cpd25112 		secondary/obsolete/fantasy identifier