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Dopachrome o-semiquinone

MNXM51534 is deprecated and here replaced by MNXM737524
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737524 Image of MNXM737524
referencebiggM:CE5278
formulaC9H6NO4
global charge-2
mol weight192.15
InChIKeyYHAPBGUGQAHLME-ZCFIWIBFSA-L
InChIInChI=1S/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/p-2/t6-/m1/s1
SMILES[O]C1=CC2=C(C=C1[O-])N[C@@H](C(=O)[O-])C2
MNX internals
InChI (mnx)InChI=1/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/t6-/m1/s1 Image of MNXM737524
SMILES (mnx)[CH2:1]1[C:4]2=[CH:2][C:7]([O:11])=[C:8]([OH:12])[CH:3]=[C:5]2[NH:10][C@H:6]1[C:9](=[O:13])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5278
biggM:CE5278
YHAPBGUGQAHLME-ZCFIWIBFSA-L 		Dopachrome o-semiquinone
hmdb:HMDB0012931
YHAPBGUGQAHLME-ZCFIWIBFSA-N 		Dopachrome o-semiquinone
(2R)-2-carboxy-6-hydroxy-2,3-dihydro-1H-indol-5-yloxidanyl
DCSQ
Leukodopachrome O-semiquinone radical
[(2R)-2-carboxy-6-hydroxy-2,3-dihydro-1H-indol-5-yl]oxidanyl

vmhM:CE5278
vmhmetabolite:CE5278
YHAPBGUGQAHLME-ZCFIWIBFSA-L 		dopachrome o-semiquinone

hmdb:HMDB12931
biggM:M_CE5278
vmhM:M_CE5278 		secondary/obsolete/fantasy identifier