input word = C00018672

Metabolite InformationStructural formula
Name Aburamycin D
Formula C48H68O22
Mw 996.42022386
CAS RN 7198-11-0
C_ID C00018672 ,
InChIKey GFNBGDMLFDVPCB-UHFFFAOYNA-N
InChICode InChI=1S/C48H68O22/c1-17-29(67-34-16-31(46(22(6)65-34)66-23(7)50)69-33-14-28(52)45(60-8)21(5)64-33)12-25-10-24-11-26(47(61-9)44(59)39(54)18(2)49)48(43(58)37(24)42(57)36(25)38(17)53)70-35-15-30(41(56)20(4)63-35)68-32-13-27(51)40(55)19(3)62-32/h10,12,18-22,26-28,30-35,39-41,45-49,51-57H,11,13-16H2,1-9H3/t18-,19+,20-,21-,22+,26+,27+,28-,30+,31-,32-,33+,34+,35+,39-,40-,41+,45-,46-,47+,48-/m0/s1
SMILES COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(C)=O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis sp. n. S-66 Ref.
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