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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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pseudoneolinderane
Properties
Image
Occurences in reactions
MNX_ID
MNXM108302
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
15
H
16
O
4
charge
0
mass
260.10486
reference
chebi:69075
InChIKey
NJMLHRWYACXVHJ-GMXABZIVSA-N
InChI
InChI=1S/C15H16O4/c1-8-7-17-11-6-15(2)12(19-15)4-3-9-5-10(13(8)11)18-14(9)16/h5,7,10,12H,3-4,6H2,1-2H3/t10-,12+,15+/m1/s1
SMILES
Cc1coc2c1[C@H]1C=C(CC[C@@H]3O[C@@]3(C)C2)C(=O)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:69075
chebi:69075
pseudoneolinderane
5H-7,4-Methenofuro(3,2-c)oxireno(f)oxacycloundecin-5-one,1a,2,3,7,11,11a-hexahydro-8,11a-dimethyl-, (1aS,7R,11aS)-