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CHEBI:189394 - Platensimycin A11

ChEBI IDCHEBI:189394
ChEBI NamePlatensimycin A11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29NO8
Net Charge0
Average Mass459.495
Monoisotopic Mass459.18932
SMILES[H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)C3C1)C[C@]2(O)CO
InChIInChI=1S/C24H29NO8/c1-22(7-6-18(29)25-19-15(27)3-2-14(20(19)30)21(31)32)16-10-13-4-8-23(16,9-5-17(22)28)11-24(13,33)12-26/h2-3,5,9,13,16,26-27,30,33H,4,6-8,10-12H2,1H3,(H,25,29)(H,31,32)/t13-,16?,22-,23+,24-/m0/s1
InChIKeyMBRIHUSUCKPCGN-BHYPFTKCSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
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 A11 (CHEBI:189394) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
2,4-dihydroxy-3-[3-[(1S,5S,8S,9R)-9-hydroxy-9-(hydroxymethyl)-5-methyl-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoic acid