input word = C00018640

Metabolite InformationStructural formula
Name Antibiotic X 14952B
Formula C42H69NO12
Mw 779.48197668
CAS RN 97430-31-4
C_ID C00018640 ,
InChIKey VNWFMKPKQQJGNF-JIFDXVNONA-N
InChICode InChI=1S/C42H69NO12/c1-10-31(32(44)11-2)37(47)26(6)20-27(7)40-28(8)36(46)23(3)16-17-30(52-35-21-33(53-41(43)49)38(48)29(9)51-35)15-13-12-14-24(4)39-25(5)18-19-42(50,55-39)22-34(45)54-40/h14,16-18,23,26-31,33,35-40,46-48,50H,10-13,15,19-22H2,1-9H3,(H2,43,49)/b17-16-,24-14+/t23-,26-,27+,28-,29+,30-,31+,33+,35-,36-,37+,38-,39-,40+,42+/m0/s1
SMILES C1=C([C@@H]2/C(=C/CCC[C@@H](/C=C\[C@@H]([C@@H]([C@@H]([C@H](OC(=O)C[C@@](C1)(O2)O)[C@@H](C[C@@H]([C@@H](O)[C@H](CC)C(=O)CC)C)C)C)O)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)OC(=O)N)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Ref.
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