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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hemigossypol-6-methyl ether
Properties
Image
Occurences in reactions
MNX_ID
MNXM8699
#reac
in my sandbox
0
in MNXref (generic)
5
in models (compartimentalized)
0
formula
C
16
H
18
O
4
charge
0
mass
274.12051
reference
metacycM:CPD-9529
InChIKey
XOXRFBVTHNRDNY-UHFFFAOYSA-N
InChI
InChI=1S/C16H18O4/c1-8(2)13-10-5-9(3)6-12(18)14(10)11(7-17)15(19)16(13)20-4/h5-8,18-19H,1-4H3
SMILES
COc1c(O)c(C=O)c2c(O)cc(C)cc2c1C(C)C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-9529
metacycM:CPD-9529
seed.compound:cpd25720
seedM:cpd25720
hemigossypol-6-methyl ether
seedM:M_cpd25720
secondary/obsolete/fantasy identifier