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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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methyl phomopsenoate
Properties
Image
Occurences in reactions
MNX_ID
MNXM168342
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
21
H
30
O
3
charge
0
mass
330.21949
reference
metacycM:CPD-18471
InChIKey
PYIWJULOBQCXEN-ZCTIPADRSA-N
InChI
InChI=1S/C21H30O3/c1-12-13-6-7-14(18(23)24-5)21(13)11-20(4)9-8-19(2,3)17(20)15(21)10-16(12)22/h14-15,17H,6-11H2,1-5H3/t14-,15+,17-,20-,21+/m1/s1
SMILES
COC(=O)[C@H]1CCC2=C(C)C(=O)C[C@H]3[C@@H]4C(C)(C)CC[C@]4(C)C[C@]213
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-18471
metacycM:CPD-18471
seed.compound:cpd31934
seedM:cpd31934
methyl phomopsenoate
seedM:M_cpd31934
secondary/obsolete/fantasy identifier