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dichloroarcyriaflavin A

PropertiesImage
MNX_IDMNXM733214 Image of MNXM733214
referencechebi:330772
formulaC20H9Cl2N3O2
global charge0
mol weight394.217
InChIKeyZGCSNRKSJLVANE-UHFFFAOYSA-N
InChIInChI=1S/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27)
SMILESO=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21
MNX internals
InChI (mnx)InChI=1/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27) Image of MNXM733214
SMILES (mnx)[c:1]12[c:2]3[c:5]([c:4]4[c:3]([c:6]1[C:13]1=[Cl:21][N:24]=[O:27][C:19]([NH2:23])=[C:15]1[CH2:11]2)[C:7](=[CH2:16])[CH2:9][C:8]4=[CH2:17])[C:12]1=[CH:20][N:25]=[O:26][C:18]([Cl:22])=[C:14]1[CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:330772
chebi:330772
ZGCSNRKSJLVANE-UHFFFAOYSA-N 		dichloroarcyriaflavin A

kegg.compound:C19699
keggC:C19699
ZGCSNRKSJLVANE-UHFFFAOYSA-N 		Dichloroarcyriaflavin A
Rebeccamycin aglycon

seed.compound:cpd20947
seedM:cpd20947
ZGCSNRKSJLVANE-UHFFFAOYSA-N 		Dichloroarcyriaflavin A
Rebeccamycin aglycon
dichloro-arcyriaflavin A
rebeccamycin aglycone

metacyc.compound:CPD-11755
metacycM:CPD-11755
ZGCSNRKSJLVANE-UHFFFAOYSA-N 		dichloro-arcyriaflavin A
rebeccamycin aglycone

keggC:M_C19699
seedM:M_cpd20947 		secondary/obsolete/fantasy identifier