Tirandamycin A

Properties Image MNX_ID MNXM165184 reference chebi:205849 formula C22H27NO7 global charge 0 mol weight 417.458 InChIKey URGUBECARCAPRI-UYWODMNRSA-N InChI InChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18+,19+,21+,22+/m1/s1 SMILES CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C MNX internals InChI (mnx) InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18+,19+,21+,22+/m1/s1 SMILES (mnx) [CH3:1][C:10](/[CH:6]=[CH:7]/[C:13](=[C:15]1/[C:14](=[O:25])[CH2:9][N:23]=[C:20]1[OH:27])[OH:24])=[CH:8]\[C@@H:11]([CH3:2])[C@@H:17]1[C@@H:12]([CH3:3])[C@H:18]2[C:16](=[O:26])[C@H:19]3[C@@:21]([CH3:4])([C@@:22]([CH3:5])([O:28]1)[O:29]2)[O:30]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0