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

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Koenigine

	Properties	Image
MNX_ID	MNXM127101
reference	chebi:168437
formula	C₁₉H₁₉NO₃
global charge	0
mol weight	309.365
InChIKey	CZZZOTXCAIDYOZ-UHFFFAOYSA-N
InChI	InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3
SMILES	COC1=CC2=C(C=C1O)NC1=C2C=C(C)C2=C1C=CC(C)(C)O2

MNX internals

InChI (mnx)	InChI=1/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3
SMILES (mnx)	[CH3:1][C:10]1=[C:18]2[C:11](=[C:17]3[C:13](=[CH:7]1)[C:12]1=[CH:8][C:16]([O:22][CH3:4])=[C:15]([OH:21])[CH:9]=[C:14]1[NH:20]3)[CH:5]=[CH:6][C:19]([CH3:2])([CH3:3])[O:23]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:168437 chebi:168437 CZZZOTXCAIDYOZ-UHFFFAOYSA-N	Koenigine 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
hmdb:HMDB0030207 CZZZOTXCAIDYOZ-UHFFFAOYSA-N	Koenigine 13-methoxy-5,5,8-trimethyl-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1,3,7,9,11,13,15-heptaen-14-ol 3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazol-9-ol, 9ci Kenigine
hmdb:HMDB30207	secondary/obsolete/fantasy identifier