input word = C00016135

Metabolite InformationStructural formula
Name SNA 4604-1
SNA 4606
SNA 4606-1
Formula C52H84O18
Mw 996.56576588
CAS RN 155709-11-8
C_ID C00016135 ,
InChIKey AINKKNUSCZUEJM-FOQWGFRZNA-N
InChICode InChI=1S/C52H84O18/c1-25-17-13-15-19-42(56)68-50(30(6)46(58)32(8)52(62)24-40(28(4)34(10)70-52)66-44-22-38(54)48(60)36(12)64-44)26(2)18-14-16-20-41(55)67-49(25)29(5)45(57)31(7)51(61)23-39(27(3)33(9)69-51)65-43-21-37(53)47(59)35(11)63-43/h13-20,25-40,43-50,53-54,57-62H,21-24H2,1-12H3/b17-13-,18-14-,19-15+,20-16+/t25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,43+,44-,45-,46-,47+,48+,49-,50+,51+,52+/m1/s1
SMILES [C@H]1(O[C@@H]([C@@H]([C@@H](C1)O)O)C)O[C@@H]1[C@@H]([C@@H](O[C@@](C1)([C@@H]([C@@H]([C@@H](C)[C@H]1[C@@H](/C=C\C=C\C(=O)O[C@@H]([C@H](/C=C\C=C\C(=O)O1)C)[C@H](C)[C@@H](O)[C@H](C)[C@]1(O[C@H]([C@@H]([C@H](C1)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O)O)C)C)C)O)C)O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. SNA-4606 Ref.
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