input word = C00016229

Metabolite InformationStructural formula
Name Saquayamycin E
Formula C43H50O16
Mw 822.30988555
CAS RN 178484-51-0
C_ID C00016229 ,
InChIKey VWFXKMIXHGVTNY-DNGXYPLYNA-N
InChICode InChI=1S/C43H50O16/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/h6-7,9,12,14-15,19-22,28-30,32-34,40,46,48,51-52H,8,10-11,13,16-18H2,1-5H3/t19-,20-,21-,22-,28-,29-,30+,32-,33-,34-,40+,41-,42-,43-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CC(c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)C[C@](C)(O[C@H]5CC[C@H](O[C@H]6CCC(=O)[C@H](C)O6)[C@H](C)O5)C[C@@]4(O)C=C3)O[C@@H]2C)C=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Actinomycetes strain MK290-AF1 Ref.
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