2',3',4'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Properties Image MNX_ID MNXM97377 reference metacycM:CPD-14634 formula C33H50O9 global charge 0 mol weight 590.754 InChIKey KSCLXDPNSMLYPU-YDZPRSSASA-N 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/t17-,18+,19-,20+,21-,22-,23-,24-,25+,27+,30+,31-,32-,33+/m1/s1 SMILES CC[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](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 MNX internals InChI (mnx) InChI=1/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/t17-,18+,19-,20+,21-,22-,23-,24-,25+,27+,30+,31-,32-,33+/m1/s1 SMILES (mnx) [CH3:1][CH2:7][C@H:20]1[CH2:9][CH2:8][CH2:10][C@H:27]([OH:34])[C@@H:17]([CH3:2])[C:29](=[O:36])[C:26]2=[CH:15][C@@H:24]3[C@@H:22]([CH:12]=[CH:11][C@@H:19]4[CH2:13][C@@H:21]([O:42][C@H:33]5[C@H:32]([O:39][CH3:6])[C@H:31]([O:38][CH3:5])[C@@H:30]([O:37][CH3:4])[C@H:18]([CH3:3])[O:40]5)[CH2:14][C@H:23]43)[C@@H:25]2[CH2:16][C:28](=[O:35])[O:41]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0