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CHEBI:223431 - (+)-alternarilactone A

ChEBI IDCHEBI:223431
ChEBI Name(+)-alternarilactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8
Net Charge0
Average Mass362.334
Monoisotopic Mass362.10017
SMILESCOc1cc(O)c2c(c1)[C@@]13O[C@]4(C)C[C@@](O)(C(=O)CC1(C)O4)[C@H]3OC2=O
InChIInChI=1S/C18H18O8/c1-15-6-11(20)17(22)7-16(2,25-15)26-18(15)9-4-8(23-3)5-10(19)12(9)13(21)24-14(17)18/h4-5,14,19,22H,6-7H2,1-3H3/t14-,15?,16-,17-,18+/m1/s1
InChIKeyWLKHTSIFYKYELK-CUHOHZIGSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (30767530)
ChEBI Ontology
Outgoing Relation(s)
(+)-alternarilactone A (CHEBI:223431) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1S,2R,11S,13R)-1,6-dihydroxy-8-methoxy-13,15-dimethyl-3,12,14-trioxapentacyclo[11.4.1.02,11.05,10.011,15]octadeca-5(10),6,8-triene-4,17-dione