input word = C00038220

Metabolite InformationStructural formula
Name 27-Hydroxy-13,19-didesmethylspirolide C
Formula C41H59NO8
Mw 693.42406787
CAS RN 1000865-10-0
C_ID C00038220 ,
InChIKey YEBJLPZBBAZOPS-MOHJPFBDNA-N
InChICode InChI=1S/C41H59NO8/c1-23-7-9-33(43)37-39(21-26(4)27(5)22-42-37)13-12-31(35-19-25(3)38(46)47-35)28(6)32(39)18-24(2)34(44)20-30-11-14-40(48-30)15-16-41(50-40)36(45)10-8-29(17-23)49-41/h18-19,26-27,29-30,32-36,43-45H,1,7-17,20-22H2,2-6H3/b24-18-/t26-,27-,29-,30-,32-,33+,34-,35-,36-,39+,40+,41+/m0/s1
SMILES [C@]123[C@@H](/C=C(/C)\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]4(O5)[C@H](CC[C@@H](CC(=C)CC[C@@H](O)C1=NC[C@@H]([C@H](C3)C)C)O4)O)O)C(=C(CC2)[C@H]1OC(=O)C(=C1)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--GonyaulacaceaeAlexandrium ostenfeldii Ref.
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OrganismAlexandrium ostenfeldii
ReferenceCiminiello,J.Nat.Prod.,70,(2007),1878