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2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

PropertiesImage
MNX_IDMNXM97378 Image of MNXM97378
referencemetacycM:CPD-14633
formulaC32H48O9
global charge0
mol weight576.727
InChIKeyXDCIOTHEPAPFRV-LIFZQOIMSA-N
InChIInChI=1S/C32H48O9/c1-6-19-8-7-9-26(33)16(2)28(35)25-14-23-21(24(25)15-27(34)40-19)11-10-18-12-20(13-22(18)23)41-32-31(38-5)30(37-4)29(36)17(3)39-32/h10-11,14,16-24,26,29-33,36H,6-9,12-13,15H2,1-5H3/t16-,17+,18-,19+,20-,21-,22-,23-,24+,26+,29+,30-,31-,32+/m1/s1
SMILESCC[C@H]1CCC[C@H](O)[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](O)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1
MNX internals
InChI (mnx)InChI=1/C32H48O9/c1-6-19-8-7-9-26(33)16(2)28(35)25-14-23-21(24(25)15-27(34)40-19)11-10-18-12-20(13-22(18)23)41-32-31(38-5)30(37-4)29(36)17(3)39-32/h10-11,14,16-24,26,29-33,36H,6-9,12-13,15H2,1-5H3/t16-,17+,18-,19+,20-,21-,22-,23-,24+,26+,29+,30-,31-,32+/m1/s1 Image of MNXM97378
SMILES (mnx)[CH3:1][CH2:6][C@H:19]1[CH2:8][CH2:7][CH2:9][C@H:26]([OH:33])[C@@H:16]([CH3:2])[C:28](=[O:35])[C:25]2=[CH:14][C@@H:23]3[C@@H:21]([CH:11]=[CH:10][C@@H:18]4[CH2:12][C@@H:20]([O:41][C@H:32]5[C@H:31]([O:38][CH3:5])[C@H:30]([O:37][CH3:4])[C@@H:29]([OH:36])[C@H:17]([CH3:3])[O:39]5)[CH2:13][C@H:22]43)[C@@H:24]2[CH2:15][C:27](=[O:34])[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14633
metacycM:CPD-14633
XDCIOTHEPAPFRV-LIFZQOIMSA-N 		2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-2-{[(3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-14-methyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

seed.compound:cpd34749
seedM:cpd34749
XDCIOTHEPAPFRV-LIFZQOIMSA-N 		(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-2-{[(3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-14-methyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

seedM:M_cpd34749 		secondary/obsolete/fantasy identifier