input word = C00017191

Metabolite InformationStructural formula
Name CP 91243
Formula C50H84O18
Mw 972.56576588
CAS RN 135179-21-4
C_ID C00017191 ,
InChIKey ANMNQYJKKJSAJR-UHFFFAOYNA-N
InChICode InChI=1S/C50H84O18/c1-24-20-25(2)48(10,56)65-40(24)34-21-35(61-38-14-12-31(51)29(6)59-38)45(62-34)47(9)17-16-36(64-47)46(8)18-19-49(68-46)22-33(53)26(3)41(66-49)27(4)42-44(58-11)43(28(5)50(57,67-42)23-37(54)55)63-39-15-13-32(52)30(7)60-39/h24-36,38-45,51-53,56-57H,12-23H2,1-11H3,(H,54,55)/t24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35-,36+,38+,39-,40-,41+,42+,43-,44+,45-,46+,47+,48-,49+,50-/m0/s1
SMILES [C@H]1([C@H](CC[C@@H](O1)O[C@H]1[C@H]([C@](O[C@@H]([C@H]1OC)[C@H](C)[C@@H]1O[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)C)C)C)O[C@H]1O[C@@H]([C@H](CC1)O)C)(O)CC(=O)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura roseorufa ATCC 53869 Ref.
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