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

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corynoline

	Properties	Image
MNX_ID	MNXM104065
reference	chebi:65660
formula	C₂₁H₂₁NO₅
global charge	0
mol weight	367.401
InChIKey	IQUGPRHKZNCHGC-TYPHKJRUSA-N
InChI	InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
SMILES	CN1CC2=C3OCOC3=CC=C2[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12

MNX internals

InChI (mnx)	InChI=1/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
SMILES (mnx)	[CH3:1][C@@:21]12[C:14]3=[C:13]([CH2:8][N:22]([CH3:2])[C@@H:20]1[C:12]1=[CH:7][C:17]4=[C:16]([CH:5]=[C:11]1[CH2:6][C@@H:18]2[OH:23])[O:25][CH2:9][O:26]4)[C:19]1=[C:15]([CH:4]=[CH:3]3)[O:24][CH2:10][O:27]1

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:65660 chebi:65660 IQUGPRHKZNCHGC-TYPHKJRUSA-N	corynoline (+)-corynoline (11S,13R,14R)-corynoline (5bR,6S,12bR)-5b,13-dimethyl-5b,6,7,12b,13,14-hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol 13-methylchelidonine
hmdb:HMDB0250479 IQUGPRHKZNCHGC-UHFFFAOYSA-N	Corynoline 13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14,16,21-hexaen-12-ol