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fagopyritol B3

PropertiesImageOccurences in reactions
MNX_IDMNXM17618Image of MNXM17618
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
formulaC24H42O21
charge0
mass666.22186
referencemetacycM:CPD-8255
InChIKeyXCUQINBMYSWRHJ-DLRKVQIZSA-N
InChIInChI=1S/C24H42O21/c25-1-4-7(26)10(29)18(37)22(42-4)40-2-5-8(27)11(30)19(38)23(43-5)41-3-6-9(28)12(31)20(39)24(44-6)45-21-16(35)14(33)13(32)15(34)17(21)36/h4-39H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-,19-,20-,21-,22+,23+,24-/m1/s1
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[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
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-8255
metacycM:CPD-8255
seed.compound:cpd25113
seedM:cpd25113
fagopyritol B3
hmdb:HMDB0035323 Fagopyritol B3
(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-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
hmdb:HMDB35323
seedM:M_cpd25113
secondary/obsolete/fantasy identifier