CHEBI:201545 - Spinosyn A 17-pseudoaglycone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 A 17-pseudoaglycone
ChEBI ID CHEBI:201545
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H50O9
Net Charge 0
Average Mass 590.754
Monoisotopic Mass 590.34548
InChI InChI=1S/C33H50O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,15,17-25,27,30-34H,7-10,13-14,16H2,1-6H3
InChIKey KSCLXDPNSMLYPU-UHFFFAOYSA-N
SMILES O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)OC)C)C=CC3C2CC(=O)OC(CC)CCCC(C1C)O
ChEBI Ontology
Outgoing Spinosyn A 17-pseudoaglycone (CHEBI:201545) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-15-hydroxy-14-methyl-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
9941799 ChemSpider
View more database links