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CHEBI:200037 - Platensimycin A2

ChEBI IDCHEBI:200037
ChEBI NamePlatensimycin A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO8
Net Charge0
Average Mass457.479
Monoisotopic Mass457.17367
SMILESC[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)C3[C@H](CC1[C@H]4O)O2
InChIInChI=1S/C24H27NO8/c1-22(7-6-16(28)25-17-13(26)4-3-11(18(17)29)21(31)32)15(27)5-8-24-10-23(2)12(20(24)30)9-14(33-23)19(22)24/h3-5,8,12,14,19-20,26,29-30H,6-7,9-10H2,1-2H3,(H,25,28)(H,31,32)/t12?,14-,19?,20+,22+,23-,24-/m0/s1
InChIKeyVAAYQILRAJLVSM-IFXSOFCXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21214253)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Platensimycin A2 (CHEBI:200037) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
2,4-dihydroxy-3-[3-[(1R,5S,7S,9S,11R)-11-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoic acid
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78440065ChemSpider