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compound 0078097

PropertiesImage
MNX_IDMNXM1187595 Image of MNXM1187595
referenceenvipathM:...fabfd57fc351
formulaC14H23O14
global charge-1
mol weight415.324
InChIKeyITRUIVFXKCSMDI-UHFFFAOYSA-M
InChIInChI=1S/C14H24O14/c15-2-6(18)9(21)10(22)8(20)4-28-13(26)14(27,1-5(17)12(24)25)11(23)7(19)3-16/h2-3,5-11,13,17-23,26-27H,1,4H2,(H,24,25)/p-1
SMILESO=CC(O)C(O)C(O)C(O)COC(O)C(O)(CC(O)C(=O)[O-])C(O)C(O)C=O
MNX internals
InChI (mnx)InChI=1/C14H24O14/c15-2-6(18)9(21)10(22)8(20)4-28-13(26)14(27,1-5(17)12(24)25)11(23)7(19)3-16/h2-3,5-11,13,17-23,26-27H,1,4H2,(H,24,25)/t5?,6?,7?,8?,9?,10?,11?,13?,14? Image of MNXM1187595
SMILES (mnx)[CH2:1]([CH:5]([C:12](=[O:24])[OH:25])[OH:17])[C:14]([CH:11]([CH:7]([CH:3]=[O:16])[OH:19])[OH:23])([CH:13]([OH:26])[O:28][CH2:4][CH:8]([CH:10]([CH:9]([CH:6]([CH:2]=[O:15])[OH:18])[OH:21])[OH:22])[OH:20])[OH:27]
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

envipath:...fabfd57fc351
envipathM:...fabfd57fc351
ITRUIVFXKCSMDI-UHFFFAOYSA-M
compound 0078097