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spinosyn A

Properties

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Occurences in reactions

MNX_ID

MNXM82596

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₄₁H₆₅NO₁₀

charge

mass

731.46085

reference

chebi:9230

InChIKey

SRJQTHAZUNRMPR-UYQKXTDMSA-N

InChI

InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1

SMILES

CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9230 chebi:9230	spinosyn A (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranoside A 83543A Spinosad factor A Spinosyn A lepicidin A
seed.compound:cpd07938 seedM:cpd07938	Spinosyn A A 83543A Spinosad factor A lepicidin A spinosyn A
kegg.compound:C11054 keggC:C11054	Spinosyn A Spinosad factor A
metacyc.compound:CPD-13385 metacycM:CPD-13385	spinosyn A A 83543A lepicidin A
keggC:M_C11054 seedM:M_cpd07938	secondary/obsolete/fantasy identifier