2'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Properties Image MNX_ID MNXM97380 reference metacycM:CPD-14632 formula C31H46O9 global charge 0 mol weight 562.7 InChIKey MZQOGEPCWATXRH-UOADEYMPSA-N InChI InChI=1S/C31H46O9/c1-5-18-7-6-8-25(32)15(2)27(34)24-13-22-20(23(24)14-26(33)39-18)10-9-17-11-19(12-21(17)22)40-31-30(37-4)29(36)28(35)16(3)38-31/h9-10,13,15-23,25,28-32,35-36H,5-8,11-12,14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22-,23+,25+,28+,29-,30-,31+/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](O)[C@@H](O)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 MNX internals InChI (mnx) InChI=1/C31H46O9/c1-5-18-7-6-8-25(32)15(2)27(34)24-13-22-20(23(24)14-26(33)39-18)10-9-17-11-19(12-21(17)22)40-31-30(37-4)29(36)28(35)16(3)38-31/h9-10,13,15-23,25,28-32,35-36H,5-8,11-12,14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22-,23+,25+,28+,29-,30-,31+/m1/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:18]1[CH2:7][CH2:6][CH2:8][C@H:25]([OH:32])[C@@H:15]([CH3:2])[C:27](=[O:34])[C:24]2=[CH:13][C@@H:22]3[C@@H:20]([CH:10]=[CH:9][C@@H:17]4[CH2:11][C@@H:19]([O:40][C@H:31]5[C@H:30]([O:37][CH3:4])[C@H:29]([OH:36])[C@@H:28]([OH:35])[C@H:16]([CH3:3])[O:38]5)[CH2:12][C@H:21]43)[C@@H:23]2[CH2:14][C:26](=[O:33])[O:39]1

Parent-child relations graph

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