input word = C00048146

Metabolite InformationStructural formula
Name Spirolide I
Formula C40H61NO6
Mw 651.44988869
CAS RN 1172640-76-4
C_ID C00048146 ,
InChIKey RUSQWLZFEGOAMG-UECAAQGNNA-N
InChICode InChI=1S/C40H61NO6/c1-23-10-9-11-36-39(20-26(4)28(6)22-41-36)15-13-31(35-18-25(3)37(43)45-35)29(7)32(39)17-24(2)33(42)19-34-27(5)21-40(47-34)38(8,44)14-12-30(16-23)46-40/h17,25-28,30,32-35,42,44H,1,9-16,18-22H2,2-8H3/b24-17+/t25-,26+,27-,28+,30+,32+,33+,34-,35+,38-,39-,40-/m1/s1
SMILES C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2CC(C)C(=O)O2)=C(C)[C@@H]3/C=C(C)[C@@H](O)C[C@H]2O[C@@]3(C[C@H]2C)O[C@@H](CC[C@@]3(C)O)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
--GonyaulacaceaeAlexandrium ostenfeldii Ref.
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