input word = C00017713

Metabolite InformationStructural formula
Name Saquayamycin A
Formula C43H48O16
Mw 820.29423549
CAS RN 99260-65-8
C_ID C00017713 ,
InChIKey PSCPFFPJZFSAMI-UHFFFAOYNA-N
InChICode InChI=1S/C43H48O16/c1-19-26(44)8-11-32(54-19)57-29-10-13-34(56-21(29)3)59-41(5)17-31(47)43(52)36-25(14-15-42(43,51)18-41)38(49)35-24(39(36)50)7-6-23(37(35)48)30-16-28(46)40(22(4)53-30)58-33-12-9-27(45)20(2)55-33/h6-9,11-12,14-15,19-22,28-30,32-34,40,46,48,51-52H,10,13,16-18H2,1-5H3/t19-,20-,21+,22-,28-,29-,30-,32-,33+,34-,40-,41+,42-,43-/m0/s1
SMILES CC1OC(OC2CCC(OC3(C)CC(=O)C4(O)C5=C(C=CC4(O)C3)C(=O)c3c(ccc(C4CC(O)C(OC6C=CC(=O)C(C)O6)C(C)O4)c3O)C5=O)OC2C)C=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces nodosus MH190-16F3 Ref.
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