input word = C00047620

Metabolite InformationStructural formula
Name (+)-Discodermolide
Formula C33H55NO8
Mw 593.39276774
CAS RN 127943-53-7
C_ID C00047620 ,
InChIKey AADVCYNFEREWOS-AXMUDFKDNA-N
InChICode InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29+,30-,31-/m0/s1
SMILES C1(=O)[C@H]([C@H]([C@H]([C@H](O1)C[C@H](O)/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C[C@H](C)[C@H]([C@@H]([C@H]([C@H](/C=C\C=C)C)OC(=O)N)C)O)\C)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Discodermia dissoluta Ref.
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