MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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tetrahydroobvatol
Properties
Image
Occurences in reactions
MNX_ID
MNXM109230
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
18
H
22
O
3
charge
0
mass
286.15689
reference
metacycM:CPD-14071
InChIKey
OGJJXRXSJDUVGA-UHFFFAOYSA-N
InChI
InChI=1S/C18H22O3/c1-3-5-13-7-9-15(10-8-13)21-17-12-14(6-4-2)11-16(19)18(17)20/h7-12,19-20H,3-6H2,1-2H3
SMILES
CCCc1ccc(Oc2cc(CCC)cc(O)c2O)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-14071
metacycM:CPD-14071
seed.compound:cpd24159
seedM:cpd24159
tetrahydroobvatol
seedM:M_cpd24159
secondary/obsolete/fantasy identifier