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fagopyritol B3

MNXM17618 is deprecated and here replaced by MNXM1368700
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368700 Image of MNXM1368700
referencemetacycM:CPD-8255
formulaC24H42O21
global charge0
mol weight666.579
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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1368700
SMILES (mnx)[CH2:1]([C@@H:4]1[C@H:7]([OH:26])[C@H:10]([OH:29])[C@@H:18]([OH:37])[C@@H:22]([O:40][CH2:2][C@@H:5]2[C@H:8]([OH:27])[C@H:11]([OH:30])[C@@H:19]([OH:38])[C@@H:23]([O:41][CH2:3][C@@H:6]3[C@H:9]([OH:28])[C@H:12]([OH:31])[C@@H:20]([OH:39])[C@@H:24]([O:45][C@@H:21]4[C@@H:16]([OH:35])[C@H:14]([OH:33])[C@@H:13]([OH:32])[C@@H:15]([OH:34])[C@@H:17]4[OH:36])[O:44]3)[O:43]2)[O:42]1)[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-8255
metacycM:CPD-8255
XCUQINBMYSWRHJ-DLRKVQIZSA-N 		fagopyritol B3
hmdb:HMDB0035323
XCUQINBMYSWRHJ-DLRKVQIZSA-N 		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 		secondary/obsolete/fantasy identifier