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

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Launobine

	Properties	Image
MNX_ID	MNXM127228
reference	chebi:174971
formula	C₁₈H₁₇NO₄
global charge	0
mol weight	311.337
InChIKey	JIFBCUOVFPCZEW-NSHDSACASA-N
InChI	InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1
SMILES	COC1=C(O)C2=C(C=C1)C[C@@H]1NCCC3=C1C2=C1OCOC1=C3

MNX internals

InChI (mnx)	InChI=1/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1
SMILES (mnx)	[CH3:1][O:21][C:12]1=[C:17]([OH:20])[C:15]2=[C:9]([CH:2]=[CH:3]1)[CH2:6][C@H:11]1[C:14]3=[C:16]2[C:18]2=[C:13]([CH:7]=[C:10]3[CH2:4][CH2:5][NH:19]1)[O:22][CH2:8][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:174971 chebi:174971 JIFBCUOVFPCZEW-NSHDSACASA-N	Launobine (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
hmdb:HMDB0030217 JIFBCUOVFPCZEW-UHFFFAOYSA-N	Launobine (+)-Launobine 11-Hydroxy-10-methoxy-1,2-methylenedioxynoraporphine 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol 2-Methoxy-3-carbomethoxycarbazole Norbulbocapnine O-Methylmukonidine
hmdb:HMDB30217	secondary/obsolete/fantasy identifier