input word = C00018495

Metabolite InformationStructural formula
Name Antibiotic X 14868B
LL-C 23024i
Formula C48H82O17
Mw 930.55520119
CAS RN 79296-11-0
C_ID C00018495 ,
InChIKey XNLVIVOTAABGHO-UHFFFAOYNA-N
InChICode InChI=1S/C48H82O17/c1-24-19-25(2)46(9,57-14)62-37(24)32-20-33(59-36-21-31(53-10)41(55-12)29(6)58-36)43(60-32)45(8)16-15-34(61-45)44(7)17-18-47(65-44)22-30(49)26(3)38(63-47)27(4)39-42(56-13)40(54-11)28(5)48(52,64-39)23-35(50)51/h24-34,36-43,49,52H,15-23H2,1-14H3,(H,50,51)/t24-,25+,26+,27+,28-,29+,30+,31+,32-,33+,34-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+/m0/s1
SMILES [C@H]1([C@H](C[C@H]([C@@](O1)(C)OC)C)C)[C@H]1O[C@H]([C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)OC)C)[C@@]1(O[C@@H](CC1)[C@@]1(O[C@]2(CC1)C[C@H]([C@H]([C@H](O2)[C@@H](C)[C@H]1[C@@H]([C@H]([C@@H]([C@](O1)(CC(=O)O)O)C)OC)OC)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. X-14868 Ref.
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