CHEBI:201546 - Spinosyn D 17-pseudoaglycone

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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 17-pseudoaglycone
ChEBI ID CHEBI:201546
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H52O9
Net Charge 0
Average Mass 604.781
Monoisotopic Mass 604.36113
InChI InChI=1S/C34H52O9/c1-8-20-10-9-11-28(35)18(3)30(37)27-15-25-23(26(27)16-29(36)42-20)12-17(2)22-13-21(14-24(22)25)43-34-33(40-7)32(39-6)31(38-5)19(4)41-34/h12,15,18-26,28,31-35H,8-11,13-14,16H2,1-7H3
InChIKey PGGPPEHRBUYMQU-UHFFFAOYSA-N
SMILES O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)OC)C)C(=CC3C2CC(=O)OC(CC)CCCC(C1C)O)C
ChEBI Ontology
Outgoing Spinosyn D 17-pseudoaglycone (CHEBI:201546) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-15-hydroxy-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Manual Xref Database
8897700 ChemSpider
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