input word = C00016758

Metabolite InformationStructural formula
Name CP 120509
Formula C45H76O17
Mw 888.508251
CAS RN 145174-89-6
C_ID C00016758 ,
InChIKey FXUXPMFVBFGFSH-UHFFFAOYNA-N
InChICode InChI=1S/C45H76O17/c1-22-17-23(2)45(52,21-46)60-36(22)30-18-31(56-34-12-11-29(53-9)27(6)55-34)40(57-30)42(8)14-13-32(58-42)41(7)15-16-43(62-41)19-28(47)24(3)37(59-43)25(4)38-39(54-10)35(50)26(5)44(51,61-38)20-33(48)49/h22-32,34-40,46-47,50-52H,11-21H2,1-10H3,(H,48,49)/t22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,34+,35+,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-/m0/s1
SMILES [C@@H]1(O[C@]2(C[C@@H]([C@H]1C)O)CC[C@@](O2)(C)[C@@H]1CC[C@](O1)(C)[C@@H]1[C@H](C[C@H](O1)[C@@H]1[C@H](C[C@H]([C@](O1)(O)CO)C)C)O[C@H]1O[C@H]([C@@H](CC1)OC)C)[C@@H](C)[C@H]1[C@H]([C@@H]([C@@H]([C@](O1)(CC(=O)O)O)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura roseorufa mutant 2634-606 Ref.
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