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dehydroprephenate

PropertiesImage
MNX_IDMNXM11320 Image of MNXM11320
referencemetacycM:CPD-12681
formulaC10H10O6
global charge-2
mol weight226.184
InChIKeyMXUSKESWNDDUIC-WKEGUHRASA-L
InChIInChI=1S/C10H12O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1,3,6,11H,2,4-5H2,(H,13,14)(H,15,16)/p-2/t6-,10-/m0/s1
SMILESO=C([O-])C(=O)C[C@]1(C(=O)[O-])C=C[C@H](O)CC1
MNX internals
InChI (mnx)InChI=1/C10H12O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1,3,6,11H,2,4-5H2,(H,13,14)(H,15,16)/t6-,10-/m0/s1 Image of MNXM11320
SMILES (mnx)[CH:1]1=[CH:3][C@:10]([CH2:5][C:7]([C:8]([OH:13])=[O:14])=[O:12])([C:9](=[O:15])[OH:16])[CH2:4][CH2:2][C@H:6]1[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12681
metacycM:CPD-12681
MXUSKESWNDDUIC-WKEGUHRASA-L
dehydroprephenate
Prephenic acid

seed.compound:cpd23530
seedM:cpd23530
MXUSKESWNDDUIC-WKEGUHRASA-L
Prephenic acid
dehydroprephenate

seedM:M_cpd23530
secondary/obsolete/fantasy identifier