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DIBOA

PropertiesImage
MNX_IDMNXM1108040 Image of MNXM1108040
referencechebi:63558
formulaC8H7NO4
global charge0
mol weight181.147
InChIKeyCOVOPZQGJGUPEY-UHFFFAOYSA-N
InChIInChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
SMILESO=C1C(O)OC2=C(C=CC=C2)N1O
MNX internals
InChI (mnx)InChI=1/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H/t8? Image of MNXM1108040
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:6]2[C:5](=[CH:3]1)[N:9]([OH:12])[C:7](=[O:10])[CH:8]([OH:11])[O:13]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63558
chebi:63558
COVOPZQGJGUPEY-UHFFFAOYSA-N 		DIBOA
2,4-Dihydroxy-1,4-benzoxazin-3-one
2,4-Dihydroxy-1,4-benzoxazinone
2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one
hmdb:HMDB0033733
COVOPZQGJGUPEY-UHFFFAOYSA-N 		2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
2,4-Dihydroxy-1,4-benzoxanzin-3(4H)-one
2,4-Dihydroxy-1,4-benzoxazin-3-one
2,4-Dihydroxy-1,4-benzoxazinone
2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one
DIBOA
DIBOA CPD
diboa

sabiork.compound:23637
sabiorkM:23637
kegg.compound:C15770
keggC:C15770
COVOPZQGJGUPEY-UHFFFAOYSA-N 		DIBOA
2,4-Dihydroxy-1,4-benzoxazin-3-one
2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

seed.compound:cpd11411
seedM:cpd11411
COVOPZQGJGUPEY-UHFFFAOYSA-N 		DIBOA
2,4-Dihydroxy-1,4-benzoxazin-3-one
2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
2,4-dihydrozy-2H-1,4-benzoxazin-3(4H)-one

envipath:...24ae603a0a62
envipathM:...24ae603a0a62
COVOPZQGJGUPEY-UHFFFAOYSA-N 		compound 0060819

hmdb:HMDB33733
keggC:M_C15770
seedM:M_cpd11411 		secondary/obsolete/fantasy identifier