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Adrenochrome o-semiquinone

MNXM40347 is deprecated and here replaced by MNXM735504
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735504 Image of MNXM735504
referencebiggM:CE5541
formulaC9H9NO3
global charge-1
mol weight179.175
InChIKeyYNKQTALYBHMWCC-UHFFFAOYSA-M
InChIInChI=1S/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3/p-1
SMILESCN1CC(O)C2=CC([O])=C([O-])C=C21
MNX internals
InChI (mnx)InChI=1/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3/t9? Image of MNXM735504
SMILES (mnx)[CH3:1][N:10]1[CH2:4][CH:9]([OH:13])[C:5]2=[CH:2][C:7]([O:11])=[C:8]([OH:12])[CH:3]=[C:6]21
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:CE5541
biggM:CE5541
YNKQTALYBHMWCC-UHFFFAOYSA-M 		Adrenochrome o-semiquinone
hmdb:HMDB0012883
YNKQTALYBHMWCC-UHFFFAOYSA-N 		Adrenochrome o-semiquinone
(3,6-dihydroxy-1-methyl-2,3-dihydro-1H-indol-5-yl)oxidanyl
3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yloxidanyl
AdcSq

vmhM:CE5541
vmhmetabolite:CE5541
YNKQTALYBHMWCC-UHFFFAOYSA-M 		adrenochrome o-semiquinone

hmdb:HMDB12883
biggM:M_CE5541
vmhM:M_CE5541 		secondary/obsolete/fantasy identifier