input word = C00041881

Metabolite InformationStructural formula
Name Spirolide G
Formula C42H61NO7
Mw 691.44480331
CAS RN 849215-96-9
C_ID C00041881 ,
InChIKey KLNQADXHUOWMOW-XHPQRKPJNA-N
InChICode InChI=1S/C42H61NO7/c1-25-8-7-9-37-40(21-28(4)29(5)24-43-37)16-15-34(36-20-27(3)39(46)47-36)30(6)35(40)19-26(2)10-11-32-14-17-41(48-32)22-31(44)23-42(50-41)38(45)13-12-33(18-25)49-42/h19-20,28-29,31-33,35-36,38,44-45H,1,7-18,21-24H2,2-6H3/b26-19-/t28-,29-,31+,32-,33+,35+,36-,38+,40-,41+,42-/m0/s1
SMILES C1C(=C([C@@H]2[C@@]3(C1)C(=NC[C@@H]([C@H](C3)C)C)CCCC(=C)C[C@H]1CC[C@H]([C@@]3(O1)O[C@]1(C[C@H](C3)O)O[C@H](CC1)CC/C(=C\2)/C)O)C)[C@H]1OC(=O)C(=C1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
--GonyaulacaceaeAlexandrium ostenfeldii Ref.
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