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(S)-4-deoxygadusol

MNXM163066 is deprecated and replaced by MNXM1100552
PropertiesImage
MNX_IDMNXM1100552 Image of MNXM1100552
referencemetacycM:CPD-18779
formulaC8H12O5
global charge0
mol weight188.179
InChIKeyZONRIYAALKITGT-QMMMGPOBSA-N
InChIInChI=1S/C8H12O5/c1-13-7-5(10)2-8(12,4-9)3-6(7)11/h9-10,12H,2-4H2,1H3/t8-/m0/s1
SMILESCOC1=C(O)C[C@@](O)(CO)CC1=O
MNX internals
InChI (mnx)InChI=1/C8H12O5/c1-13-7-5(10)2-8(12,4-9)3-6(7)11/h9-10,12H,2-4H2,1H3/t8-/m0/s1 Image of MNXM1100552
SMILES (mnx)[CH3:1][O:13][C:7]1=[C:5]([OH:10])[CH2:2][C@:8]([CH2:4][OH:9])([OH:12])[CH2:3][C:6]1=[O:11]
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

metacyc.compound:CPD-18779
metacycM:CPD-18779
seed.compound:cpd32789
seedM:cpd32789
ZONRIYAALKITGT-QMMMGPOBSA-N 		(S)-4-deoxygadusol

seedM:M_cpd32789 		secondary/obsolete/fantasy identifier