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Adrenochrome

PropertiesImage
MNX_IDMNXM1369372 Image of MNXM1369372
referencechebi:166544
formulaC9H9NO3
global charge0
mol weight179.175
InChIKeyRPHLQSHHTJORHI-UHFFFAOYSA-N
InChIInChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3
SMILESCN1CC(O)C2=CC(=O)C(=O)C=C21
MNX internals
InChI (mnx)InChI=1/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3/t9? Image of MNXM1369372
SMILES (mnx)[CH3:1][N:10]1[CH2:4][CH:9]([OH:13])[C:5]2=[CH:2][C:7](=[O:11])[C:8](=[O:12])[CH:3]=[C:6]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166544
chebi:166544
RPHLQSHHTJORHI-UHFFFAOYSA-N 		Adrenochrome
3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione

bigg.metabolite:CE5536
biggM:CE5536
vmhM:adrchro
vmhM:adrchro
vmhmetabolite:adrchro
vmhmetabolite:adrchro
RPHLQSHHTJORHI-UHFFFAOYSA-N 		Adrenochrome

vmhM:CE5536
vmhM:CE5536
biggM:M_CE5536
vmhM:M_adrchro 		secondary/obsolete/fantasy identifier