MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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neopentalenolactone F
Properties
Image
Occurences in reactions
MNX_ID
MNXM12451
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
15
H
17
O
5
charge
-1
mass
277.10815
reference
metacycM:CPD-13624
InChIKey
YWHKSSBMSXJUIW-RCVHVDPASA-M
InChI
InChI=1S/C15H18O5/c1-13(2)5-8-3-9(12(17)18)10-4-11(16)20-15(7-19-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,17,18)/p-1/t8?,10-,14+,15+/m0/s1
SMILES
CC1(C)CC2C=C(C(=O)[O-])[C@@H]3CC(=O)O[C@]4(CO4)[C@]23C1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-13624
metacycM:CPD-13624
seed.compound:cpd23968
seedM:cpd23968
neopentalenolactone F
seedM:M_cpd23968
secondary/obsolete/fantasy identifier