CHEBI:201548 - Spinosyn D aglycone

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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 Spinosyn D aglycone
ChEBI ID CHEBI:201548
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H36O5
Net Charge 0
Average Mass 416.558
Monoisotopic Mass 416.25627
InChI InChI=1S/C25H36O5/c1-4-16-6-5-7-23(27)14(3)25(29)22-11-20-18(21(22)12-24(28)30-16)8-13(2)17-9-15(26)10-19(17)20/h8,11,14-21,23,26-27H,4-7,9-10,12H2,1-3H3
InChIKey XJXGESFEOGOUOJ-UHFFFAOYSA-N
SMILES O=C1C2=CC3C4C(CC(C4)O)C(=CC3C2CC(=O)OC(CC)CCCC(C1C)O)C
ChEBI Ontology
Outgoing Spinosyn D aglycone (CHEBI:201548) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-7,15-dihydroxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Manual Xref Database
8797212 ChemSpider
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