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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-hydroxytetracenomycin A2
Properties
Image
Occurences in reactions
MNX_ID
MNXM164304
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
23
H
18
O
9
charge
0
mass
438.09508
reference
metacycM:CPD-19398
InChIKey
MCIXGBCAADINCO-UHFFFAOYSA-N
InChI
InChI=1S/C23H18O9/c1-8-14-9(6-12(30-2)15(8)23(29)32-4)5-10-16(21(14)27)22(28)17-11(24)7-13(31-3)20(26)18(17)19(10)25/h5-7,24,26-27H,1-4H3
SMILES
COC(=O)c1c(OC)cc2cc3c(c(O)c2c1C)C(=O)c1c(O)cc(OC)c(O)c1C3=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-19398
metacycM:CPD-19398
seed.compound:cpd35198
seedM:cpd35198
4-hydroxytetracenomycin A2
seedM:M_cpd35198
secondary/obsolete/fantasy identifier