CHEBI:189120 - Macrosphelide I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Macrosphelide I
ChEBI ID CHEBI:189120
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O8
Net Charge 0
Average Mass 344.360
Monoisotopic Mass 344.14712
InChI InChI=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
InChIKey KIBZGGIVYAKKPJ-VGOUJBTESA-N
SMILES O1[C@H]([C@H](O)CCC(O[C@H]([C@H](O)C=CC(O[C@@H](CC1=O)C)=O)C)=O)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
9899759 ChemSpider
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