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CHEBI:202036 - Hydroxyplatensic acid

ChEBI IDCHEBI:202036
ChEBI NameHydroxyplatensic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC[C@@]1(CCC(=O)O)C(=O)C=C[C@]23CC4C[C@H](O[C@@]4(C)[C@@H]2O)[C@H]31
InChIInChI=1S/C17H22O5/c1-15(5-4-12(19)20)11(18)3-6-17-8-9-7-10(13(15)17)22-16(9,2)14(17)21/h3,6,9-10,13-14,21H,4-5,7-8H2,1-2H3,(H,19,20)/t9?,10-,13-,14-,15+,16+,17+/m0/s1
InChIKeyTVMUTJRGKLRTET-NDBGESKDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - DOI (10.1016/j.tetlet.2009.06.118)
ChEBI Ontology
Outgoing Relation(s)
Hydroxyplatensic acid (CHEBI:202036) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-[(1S,5S,6R,7S,9R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoic acid
Manual XrefsDatabases
58170458ChemSpider