input word = C00041448

Metabolite InformationStructural formula
Name Clathroside B
Formula C39H76O7
Mw 656.55910478
CAS RN 876313-97-2
C_ID C00041448 ,
InChIKey DGQZVWDSEGIZRB-DIAVDUQZNA-N
InChICode InChI=1S/C39H76O7/c1-4-6-7-8-9-10-11-12-15-18-21-24-27-33(31-45-39-38(44)37(43)36(42)35(30-40)46-39)29-34(41)28-25-22-19-16-13-14-17-20-23-26-32(3)5-2/h29,32,34-44H,4-28,30-31H2,1-3H3/b33-29+/t32-,34-,35+,36+,37-,38+,39+/m0/s1
SMILES CCCCCCCCCCCCCC/C(=C[C@@H](O)CCCCCCCCCCCC(C)CC)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas clathrodes Ref.
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