6,8a-Seco-6,8a-deoxy-5-oxoavermectin''2b''aglycone

Properties Image MNX_ID MNXM6946 reference chebi:182619 formula C33H48O8 global charge 0 mol weight 572.739 InChIKey SAJJUKVDFSFJNK-LJMQVFQTSA-N InChI InChI=1S/C33H48O8/c1-18(2)30-23(7)28(35)16-32(41-30)15-25-14-24(40-32)12-11-20(4)29(36)19(3)9-8-10-22(6)33(38)17-27(34)21(5)13-26(33)31(37)39-25/h8-11,13,18-19,23-26,28-30,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,22-10+/t19-,23-,24+,25-,26-,28-,29-,30+,32-,33+/m0/s1 SMILES CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]2(O)CC1=O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](C(C)C)O1 MNX internals InChI (mnx) InChI=1/C33H48O8/c1-18(2)30-23(7)28(35)16-32(41-30)15-25-14-24(40-32)12-11-20(4)29(36)19(3)9-8-10-22(6)33(38)17-27(34)21(5)13-26(33)31(37)39-25/h8-11,13,18-19,23-26,28-30,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,22-10+/t19-,23-,24+,25-,26-,28-,29-,30+,32-,33+/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C@@H:30]1[C@@H:23]([CH3:7])[C@@H:28]([OH:35])[CH2:16][C@:32]2([CH2:15][C@@H:25]3[CH2:14][C@@H:24]([CH2:12]/[CH:11]=[C:20](\[CH3:4])[C@@H:29]([OH:36])[C@@H:19]([CH3:3])/[CH:9]=[CH:8]/[CH:10]=[C:22](\[CH3:6])[C@:33]4([OH:38])[CH2:17][C:27](=[O:34])[C:21]([CH3:5])=[CH:13][C@H:26]4[C:31](=[O:37])[O:39]3)[O:40]2)[O:41]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0