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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aspergillusone A
Properties
Image
Occurences in reactions
MNX_ID
MNXM102871
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
16
H
14
O
6
charge
0
mass
302.07904
reference
chebi:68221
InChIKey
LPMOHIIEWMTZSE-OQPBUACISA-N
InChI
InChI=1S/C16H14O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,8,13,17-18H,1-2H3/t8-,13+/m1/s1
SMILES
COC(=O)[C@@H]1c2c(oc3cc(C)cc(O)c3c2=O)C=C[C@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:68221
chebi:68221
aspergillusone A
rel-methyl (1R,2R)-2,8-dihydroxy-6-methyl-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate