MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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6-hydroxy-allocryptopine
Properties
Image
Occurences in reactions
MNX_ID
MNXM114602
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
21
H
23
NO
6
charge
0
mass
385.15254
reference
metacycM:CPD-14846
InChIKey
IILCKSYIKQRGAO-UHFFFAOYSA-N
InChI
InChI=1S/C21H23NO6/c1-22-10-15-12(4-5-17(25-2)21(15)26-3)6-16(23)14-9-19-18(27-11-28-19)7-13(14)8-20(22)24/h4-5,7,9,20,24H,6,8,10-11H2,1-3H3
SMILES
COc1ccc2c(c1OC)CN(C)C(O)Cc1cc3c(cc1C(=O)C2)OCO3
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-14846
metacycM:CPD-14846
seed.compound:cpd35543
seedM:cpd35543
6-hydroxy-allocryptopine
seedM:M_cpd35543
secondary/obsolete/fantasy identifier