input word = C00018497

Metabolite InformationStructural formula
Name Antibiotic X 14868D
Formula C47H80O17
Mw 916.53955113
CAS RN 79331-54-7
C_ID C00018497 ,
InChIKey RWVUEZAROXKXRT-AUIZYQIZNA-N
InChICode InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)/t23-,24-,25+,26-,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-/m0/s1
SMILES [C@@H]([C@H]1O[C@]2(C[C@@H]([C@H]1C)O)CC[C@@](O2)(C)[C@@H]1O[C@](CC1)(C)[C@H]1[C@H](C[C@@H](O1)[C@H]1O[C@]([C@H](C[C@@H]1C)C)(C)O)O[C@H]1O[C@H]([C@@H]([C@H](C1)OC)OC)C)(C)[C@H]1[C@H]([C@H]([C@@H]([C@@](O1)(CC(=O)O)O)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. X-14868 Ref.
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