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 COC1CCC(OC2(C)C(CC3CC(OC)C(C)C4(O3)OC(C)(C3CCC(C5CCC(C6OC(C)(O)C(C)C(OC)C6C)O5)O3)C(OC)C4C)OC(O)(C(C)C(=O)O)C(C)C2OC)OC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura sp. N742-34 Ref.
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