input word = C00028626

Metabolite InformationStructural formula
Name Mycalolide A
(-)-Mycalolide A
Formula C47H64N4O14
Mw 908.44190278
CAS RN 121038-36-6
C_ID C00028626 ,
InChIKey SZQYPBVSIIOBCT-FKOODZIXNA-N
InChICode InChI=1S/C47H64N4O14/c1-27(17-18-38(56)29(3)44(64-32(6)53)28(2)19-20-51(7)26-52)40(59-9)22-41-31(5)39(58-8)15-12-16-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-10)30(4)37(55)14-11-13-33(54)21-43(57)65-41/h11-12,14,16,19-20,23-31,33,39-41,44-45,54H,13,15,17-18,21-22H2,1-10H3/b14-11+,16-12-,20-19+/t27-,28+,29-,30-,31+,33-,39-,40-,41-,44+,45-/m0/s1
SMILES o1c2nc(c1)c1nc(co1)c1nc(co1)[C@H]([C@H](C(=O)/C=C/C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C/C=C\2)OC)C)C[C@@H]([C@H](CCC(=O)[C@@H]([C@@H]([C@@H](/C=C/N(C=O)C)C)OC(=O)C)C)C)OC)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--Mycale magellanica Ref.
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