input word = C00041449

Metabolite InformationStructural formula
Name Clathroside C
Formula C39H76O7
Mw 656.55910478
CAS RN 876314-03-3
C_ID C00041449 ,
InChIKey DOFJJYDUIKJVER-WBFPCKJDNA-N
InChICode InChI=1S/C39H76O7/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-33(31-45-39-38(44)37(43)36(42)35(30-40)46-39)29-34(41)28-25-22-19-16-13-12-14-17-20-23-26-32(2)3/h29,32,34-44H,4-28,30-31H2,1-3H3/b33-29+/t34-,35+,36+,37-,38+,39+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC/C(=C/[C@H](CCCCCCCCCCCCC(C)C)O)/CCCCCCCCCCCCCC)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas clathrodes Ref.
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OrganismAgelas clathrodes
ReferenceCostanino,J.Nat.Prod.,69,(2006),73