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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Flux balance (FBA)
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(+)-Ligballinol
Properties
Image
Occurences in reactions
MNX_ID
MNXM114773
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
18
H
18
O
4
charge
0
mass
298.12051
reference
hmdb:HMDB0029543
InChIKey
AYMLHOROIXAYPH-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2
SMILES
Oc1ccc(C2OCC3C(c4ccc(O)cc4)OCC23)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
hmdb:HMDB0029543
(+)-Ligballinol
4-[4-(4-hydroxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenol
hmdb:HMDB29543
secondary/obsolete/fantasy identifier