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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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dimeric urushiol peroxide
Properties
Image
Occurences in reactions
MNX_ID
MNXM17301
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
42
H
58
O
5
charge
0
mass
642.42842
reference
metacycM:CPD-9598
InChIKey
LHTWOCYDZMMOOG-IVXJDZNUSA-N
InChI
InChI=1S/C42H58O5/c1-3-5-7-11-19-29-37(31-21-15-9-13-17-25-35-27-23-33-39(43)41(35)45)47-38(30-20-12-8-6-4-2)32-22-16-10-14-18-26-36-28-24-34-40(44)42(36)46/h3-8,11-12,19-20,23-24,27-30,33-34,37-38,43-46H,9-10,13-18,21-22,25-26,31-32H2,1-2H3/b5-3-,6-4-,11-7+,12-8+,29-19+,30-20+
SMILES
C/C=C\C=C\C=C\C(CCCCCCCc1cccc(O)c1O)OC(/C=C/C=C/C=C\C)CCCCCCCc1cccc(O)c1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-9598
metacycM:CPD-9598
seed.compound:cpd25746
seedM:cpd25746
dimeric urushiol peroxide
seedM:M_cpd25746
secondary/obsolete/fantasy identifier