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hebitol II

PropertiesImage
MNX_IDMNXM105507 Image of MNXM105507
referencechebi:69792
formulaC21H30O14
global charge0
mol weight506.457
InChIKeyNKNIPRJKUBSJDO-BCCHJPKLSA-N
InChIInChI=1S/C21H30O14/c22-6-12(25)16(28)17(29)13(26)7-34-21-20(32)19(31)18(30)14(35-21)8-33-15(27)4-2-9-1-3-10(23)11(24)5-9/h1-5,12-14,16-26,28-32H,6-8H2/b4-2+/t12-,13-,14-,16-,17-,18-,19+,20-,21-/m1/s1
SMILESO=C(/C=C/C1=CC(O)=C(O)C=C1)OC[C@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C21H30O14/c22-6-12(25)16(28)17(29)13(26)7-34-21-20(32)19(31)18(30)14(35-21)8-33-15(27)4-2-9-1-3-10(23)11(24)5-9/h1-5,12-14,16-26,28-32H,6-8H2/b4-2+/t12-,13-,14-,16-,17-,18-,19+,20-,21-/m1/s1 Image of MNXM105507
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:23])=[C:11]([OH:24])[CH:5]=[C:9]1/[CH:2]=[CH:4]/[C:15](=[O:27])[O:33][CH2:8][C@@H:14]1[C@@H:18]([OH:30])[C@H:19]([OH:31])[C@@H:20]([OH:32])[C@H:21]([O:34][CH2:7][C@H:13]([C@H:17]([C@@H:16]([C@@H:12]([CH2:6][OH:22])[OH:25])[OH:28])[OH:29])[OH:26])[O:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69792
chebi:69792
NKNIPRJKUBSJDO-BCCHJPKLSA-N 		hebitol II