MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Luotonin A

	Properties	Image
MNX_ID	MNXM1129244
reference	chebi:172341
formula	C₁₈H₁₁N₃O
global charge	0
mol weight	285.306
InChIKey	LUMDXNLBIYLTER-UHFFFAOYSA-N
InChI	InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2
SMILES	O=C1C2=C(C=CC=C2)N=C2C3=NC4=C(C=CC=C4)C=C3CN12

MNX internals

InChI (mnx)	InChI=1/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:14]2[C:11](=[CH:5]1)[CH:9]=[C:12]1[CH2:10][N:21]3[C:17](=[N:20][C:15]4=[CH:8][CH:4]=[CH:2][CH:6]=[C:13]4[C:18]3=[O:22])[C:16]1=[N:19]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172341 chebi:172341 LUMDXNLBIYLTER-UHFFFAOYSA-N	Luotonin A 3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one