CHEBI:80041 - Spinosyn P

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Spinosyn P
ChEBI ID CHEBI:80041
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H61NO10
Net Charge 0
Average Mass 703.90230
Monoisotopic Mass 703.42955
InChI InChI=1S/C39H61NO10/c1-8-24-10-9-11-32(50-34-15-14-31(40(5)6)21(3)46-34)20(2)35(42)30-18-28-26(29(30)19-33(41)48-24)13-12-23-16-25(17-27(23)28)49-39-38(45-7)37(44)36(43)22(4)47-39/h12-13,18,20-29,31-32,34,36-39,43-44H,8-11,14-17,19H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31+,32+,34+,36+,37-,38-,39+/m1/s1
InChIKey GWXUECNDJTYZFN-PNXRJMMDSA-N
SMILES CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC
ChEBI Ontology
Outgoing Spinosyn P (CHEBI:80041) is a macrolide (CHEBI:25106)
Manual Xref Database
C15709 KEGG COMPOUND
View more database links