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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comazaphilone F
Properties
Image
Occurences in reactions
MNX_ID
MNXM103989
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
22
H
26
O
8
charge
0
mass
418.16277
reference
chebi:70015
InChIKey
YEZGTQVFNLLEEE-OPAMFIHVSA-N
InChI
InChI=1S/C22H26O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h7-8,16,23-24,27H,5-6,9-10H2,1-4H3/t16-,22-/m1/s1
SMILES
CCCC1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)c1c(C)cc(O)c(O)c1OC)C2
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:70015
chebi:70015
comazaphilone F
rel-(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate