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octoketide 4b

PropertiesImageOccurences in reactions
MNX_IDMNXM12513Image of MNXM12513
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC16H13O7
charge-1
mass317.06668
referencemetacycM:CPD-11556
InChIKeyPCNFFWATXFRKOF-UHFFFAOYSA-M
InChIInChI=1S/C16H14O7/c1-8-2-9(17)4-13-15(8)12(19)7-16(21,23-13)6-11-3-10(18)5-14(20)22-11/h2-5,17-18,21H,6-7H2,1H3/p-1
SMILESCc1cc(O)cc2c1C(=O)CC(O)(Cc1cc([O-])cc(=O)o1)O2
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-11556
metacycM:CPD-11556
octoketide 4b
SEK4b
seed.compound:cpd22997
seedM:cpd22997
SEK4b
octoketide 4b
seedM:M_cpd22997 secondary/obsolete/fantasy identifier