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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neoabietadienal
Properties
Image
Occurences in reactions
MNX_ID
MNXM165010
#reac
in my sandbox
0
in MNXref (generic)
38
in models (compartimentalized)
0
formula
C
20
H
30
O
charge
0
mass
286.22967
reference
metacycM:CPD-8711
InChIKey
JPCTZWFFRZZTMM-UMQXSMKFSA-N
InChI
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18?,19-,20+/m0/s1
SMILES
CC(C)=C1C=C2CCC3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-8711
metacycM:CPD-8711
seed.compound:cpd25393
seedM:cpd25393
neoabietadienal
seedM:M_cpd25393
secondary/obsolete/fantasy identifier