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

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Necatorine

	Properties	Image
MNX_ID	MNXM128614
reference	hmdb:HMDB0039035
formula	C₁₅H₈N₂O₃
global charge	0
mol weight	264.24
InChIKey	WNQBVKOXDIYRFH-UHFFFAOYSA-N
InChI	InChI=1S/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H
SMILES	O=C1C=CC2=C3N=NC4=CC=CC=C4C3=C(O)C=C2O1

MNX internals

InChI (mnx)	InChI=1/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]2[C:8](=[CH:3]1)[C:14]1=[C:11]([OH:18])[CH:7]=[C:12]3[C:9](=[C:15]1[N:17]=[N:16]2)[CH:5]=[CH:6][C:13](=[O:19])[O:20]3

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
hmdb:HMDB0039035 WNQBVKOXDIYRFH-UHFFFAOYSA-N	Necatorine 11-Hydroxy-2H-benzo(c)pyrano(2,3-H)cinnolin-2-one 11-Hydroxy-2H-benzo[c]pyrano[2,3-H]cinnolin-2-one, 9ci 9-hydroxy-6-oxa-17,18-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,8,11,13,15,17-octaen-5-one Necatorin
hmdb:HMDB39035	secondary/obsolete/fantasy identifier