input word = C00039329

Metabolite InformationStructural formula
Name Halichonadin E
(+)-Halichonadin E
Formula C31H52N2O
Mw 468.4079643
CAS RN 1004519-08-7
C_ID C00039329 ,
InChIKey GWNAWKXPMUQBAV-JAEGRATMNA-N
InChICode InChI=1S/C31H52N2O/c1-18(2)21-13-16-30(7)15-9-10-20(4)25(30)27(21)32-28(34)33-31(8)17-14-23-26(29(23,5)6)24-19(3)11-12-22(24)31/h18-19,21-27H,4,9-17H2,1-3,5-8H3,(H2,32,33,34)/t19-,21+,22-,23-,24+,25-,26-,27+,30-,31-/m1/s1
SMILES [C@H]12[C@H]([C@](CC[C@@H]3[C@H]1C3(C)C)(C)NC(=O)N[C@@H]1[C@@H]3[C@@](CC[C@H]1C(C)C)(CCCC3=C)C)CC[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeHalichondria sp. Ref.
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