input word = C00017248

Metabolite InformationStructural formula
Name CP 82009
Formula C49H84O17
Mw 944.57085126
CAS RN 125131-53-5
C_ID C00017248 ,
InChIKey IBYYDBPHSZNNHJ-UHFFFAOYNA-N
InChICode InChI=1S/C49H84O17/c1-24-40(56-13)26(3)47(10,52)65-41(24)35-17-16-33(60-35)34-18-20-37(61-34)46(9)43(58-15)28(5)49(66-46)25(2)36(55-12)22-31(62-49)23-38-45(8,64-39-21-19-32(54-11)30(7)59-39)42(57-14)27(4)48(53,63-38)29(6)44(50)51/h24-43,52-53H,16-23H2,1-15H3,(H,50,51)/t24-,25+,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,45-,46-,47-,48-,49-/m0/s1
SMILES [C@H]1([C@@H](CC[C@@H](O1)O[C@]1([C@@H](O[C@]([C@@H]([C@H]1OC)C)(O)[C@H](C)C(=O)O)C[C@H]1C[C@H]([C@H]([C@@]2(O1)[C@@H]([C@H]([C@](O2)(C)[C@H]1CC[C@H](O1)[C@H]1CC[C@H](O1)[C@@H]1[C@H]([C@@H]([C@@H]([C@@](O1)(C)O)C)OC)C)OC)C)C)OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura sp. N742-34 Ref.
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