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spinosyn A

PropertiesImage
MNX_IDMNXM82596 Image of MNXM82596
referencechebi:9230
formulaC41H65NO10
global charge0
mol weight731.968
InChIKeySRJQTHAZUNRMPR-UYQKXTDMSA-N
InChIInChI=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
SMILESCC[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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM82596
SMILES (mnx)[CH3:1][CH2:10][C@H:26]1[CH2:12][CH2:11][CH2:13][C@H:34]([O:52][C@H:36]2[CH2:17][CH2:16][C@H:33]([N:42]([CH3:5])[CH3:6])[C@@H:23]([CH3:3])[O:48]2)[C@@H:22]([CH3:2])[C:37](=[O:44])[C:32]2=[CH:20][C@@H:30]3[C@@H:28]([CH:15]=[CH:14][C@@H:25]4[CH2:18][C@@H:27]([O:51][C@H:41]5[C@H:40]([O:47][CH3:9])[C@H:39]([O:46][CH3:8])[C@@H:38]([O:45][CH3:7])[C@H:24]([CH3:4])[O:49]5)[CH2:19][C@H:29]43)[C@@H:31]2[CH2:21][C:35](=[O:43])[O:50]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9230
chebi:9230
SRJQTHAZUNRMPR-UYQKXTDMSA-N 		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
SRJQTHAZUNRMPR-UYQKXTDMSA-O 		Spinosyn A
A 83543A
Spinosad factor A
lepicidin A
spinosyn A

kegg.compound:C11054
keggC:C11054
SRJQTHAZUNRMPR-UYQKXTDMSA-N 		Spinosyn A
Spinosad factor A

metacyc.compound:CPD-13385
metacycM:CPD-13385
SRJQTHAZUNRMPR-UYQKXTDMSA-O 		spinosyn A
A 83543A
lepicidin A

keggC:M_C11054
seedM:M_cpd07938 		secondary/obsolete/fantasy identifier