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CHEBI:189120 - Macrosphelide I

ChEBI IDCHEBI:189120
ChEBI NameMacrosphelide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O8
Net Charge0
Average Mass344.360
Monoisotopic Mass344.14712
SMILESC[C@@H]1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H24O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4,6,9-13,17-18H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11+,12-,13-/m1/s1
InChIKeyKIBZGGIVYAKKPJ-VGOUJBTESA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Macrosphelide I (CHEBI:189120) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12-trione
Manual XrefsDatabases
9899759ChemSpider