input word = C00017714

Metabolite InformationStructural formula
Name Saquayamycin B
Formula C43H48O16
Mw 820.29423549
CAS RN 99260-67-0
C_ID C00017714 ,
InChIKey WUQKUPKWGZHYBN-UHFFFAOYNA-N
InChICode InChI=1S/C43H48O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-8,10,12-13,18-21,27-30,32-33,39-40,47,50-51H,9,11,14-17H2,1-5H3/t18-,19-,20+,21+,27-,28+,29+,30+,32+,33-,39+,40+,41+,42-,43-/m0/s1
SMILES C1(=O)[C@@H](O[C@H]2[C@@H](C1)O[C@H]1[C@H](O2)[C@H](O[C@H](C1)c1c(c2c(cc1)C(=O)C1=C(C2=O)C=C[C@]2([C@]1(O)C(=O)C[C@](C2)(O[C@H]1CC[C@@H]([C@H](O1)C)O[C@H]1O[C@H](C(=O)C=C1)C)C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces nodosus MH190-16F3 Ref.
BacteriaStreptomycetaceaeStreptomyces sp. KY002 Ref.
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