input word = C00034513

Metabolite InformationStructural formula
Name Fasciculol E
Formula C39H65NO11
Mw 723.45576193
CAS RN 65694-20-4
C_ID C00034513 ,
InChIKey XCIUFBDNARZOSJ-UHFFFAOYNA-N
InChICode InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(44)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(43)35(3,4)48)37(27,6)17-26(42)33(34)51-31(46)19-36(5,49)18-30(45)40-20-32(47)50-9/h22-23,26-29,33,41-44,48-49H,10-21H2,1-9H3,(H,40,45)/t22-,23+,26-,27+,28+,29+,33-,36+,37-,38+,39-/m0/s1
SMILES [C@H]1([C@@H](C([C@@H]2[C@@](C1)(C1=C(CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)[C@@H](CC[C@H](C(C)(O)C)O)CO)C)C)C)(C)C)OC(=O)C[C@@](CC(=O)NCC(=O)OC)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
--Naematoloma fasciculare Ref.
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