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

Feedback

Mukonicine

	Properties	Image
MNX_ID	MNXM128205
reference	hmdb:HMDB0030212
formula	C₂₀H₂₁NO₃
global charge	0
mol weight	323.392
InChIKey	APZRRMFSHXMDTQ-UHFFFAOYSA-N
InChI	InChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3
SMILES	COC1=CC2=C(NC3=C4C=CC(C)(C)OC4=C(C)C=C23)C(OC)=C1

MNX internals

InChI (mnx)	InChI=1/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3
SMILES (mnx)	[CH3:1][C:11]1=[C:19]2[C:13](=[C:17]3[C:14](=[CH:8]1)[C:15]1=[C:18]([C:16]([O:23][CH3:5])=[CH:10][C:12]([O:22][CH3:4])=[CH:9]1)[NH:21]3)[CH:6]=[CH:7][C:20]([CH3:2])([CH3:3])[O:24]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
hmdb:HMDB0030212 APZRRMFSHXMDTQ-UHFFFAOYSA-N	Mukonicine 13,15-dimethoxy-5,5,8-trimethyl-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,7,9,11(16),12,14-heptaene 3,11-Dihydro-8,10-dimethoxy-3,3,5-trimethylpyrano[3,2-a]carbazole, 9ci
hmdb:HMDB30212	secondary/obsolete/fantasy identifier