input word = C00028467

Metabolite InformationStructural formula
Name Leucascandrolide A
Formula C38H56N2O10
Mw 700.39349602
CAS RN 175448-18-7
C_ID C00028467 ,
InChIKey DJSCTOCFSZYDND-FKNNPDMINA-N
InChICode InChI=1S/C38H56N2O10/c1-6-25(2)13-15-29-18-28-16-14-26(3)34(48-28)22-30(44-4)19-31-20-32(21-33(47-31)23-37(42)49-29)50-36(41)12-8-7-10-27-24-46-35(40-27)11-9-17-39-38(43)45-5/h8-9,11-13,15,24-26,28-34H,6-7,10,14,16-23H2,1-5H3,(H,39,43)/b11-9-,12-8-,15-13+/t25-,26-,28-,29-,30-,31+,32+,33+,34+/m0/s1
SMILES C1C[C@@H]2O[C@@H]([C@H]1C)C[C@H](C[C@H]1O[C@H](C[C@@H](C1)OC(=O)/C=C\CCc1coc(n1)/C=C\CNC(=O)OC)CC(=O)O[C@H](C2)/C=C/[C@@H](C)CC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Keucascandra caveolata Ref.
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