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CHEBI:223758 - AA-57

ChEBI IDCHEBI:223758
ChEBI NameAA-57
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17ClO5
Net Charge0
Average Mass312.749
Monoisotopic Mass312.07645
SMILESCC1=CC23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]3(O)CCl)C1C
InChIInChI=1S/C15H17ClO5/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,20H,5-6H2,1-2H3,(H,17,18)/t8?,10-,11+,14?,15-/m1/s1
InChIKeyJIBVJJZCSYJNBC-UJICEISBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (690006)
ChEBI Ontology
Outgoing Relation(s)
AA-57 (CHEBI:223758) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,4aR,6aR)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
Manual XrefsDatabases
78443131ChemSpider