input word = C00041606

Metabolite InformationStructural formula
Name Isoclathroside C
Formula C39H76O7
Mw 656.55910478
CAS RN 876314-09-9
C_ID C00041606 ,
InChIKey DOFJJYDUIKJVER-LOWHJWMANA-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-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC/C(=C\[C@H](O)CCCCCCCCCCCCC(C)C)/CCCCCCCCCCCCCC
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