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ascorbigen

MNXM102854 is deprecated and here replaced by MNXM726115
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726115 Image of MNXM726115
referencechebi:64944
formulaC15H15NO6
global charge0
mol weight305.286
InChIKeyOMSJCIOTCFHSIT-KNUOEEMSSA-N
InChIInChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14?,15-/m0/s1
SMILESO=C1O[C@@H]2[C@@H](O)CO[C@]2(O)C1(O)CC1=CNC2=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14?,15-/m0/s1 Image of MNXM726115
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][C:14]1([OH:19])[C:13](=[O:18])[O:22][C@@H:12]3[C@@H:11]([OH:17])[CH2:7][O:21][C@@:15]31[OH:20])=[CH:6][NH:16]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64944
chebi:64944
OMSJCIOTCFHSIT-KNUOEEMSSA-N 		ascorbigen
(3aS,6S,6aR)-3,3a,6-trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-one
indol-3-ylmethyl-ascorbate

metacyc.compound:CPDQT-426
metacycM:CPDQT-426
seed.compound:cpd26648
seedM:cpd26648
OMSJCIOTCFHSIT-KNUOEEMSSA-N 		ascorbigen
indol-3-ylmethyl-ascorbate

seedM:M_cpd26648 		secondary/obsolete/fantasy identifier