input word = C00048751

Metabolite InformationStructural formula
Name Leucospilotaside C
Formula C35H54O13S
Mw 714.32851254
CAS RN 79389-96-1
C_ID C00048751 ,
InChIKey WULMWGAQVAPDFE-UHFFFAOYNA-N
InChICode InChI=1S/C35H54O13S/c1-29(2)12-10-24(46-29)33(7)34(40)15-14-32(6)18-8-9-21-30(3,4)23(45-27-26(38)25(37)20(17-44-27)48-49(41,42)43)11-13-31(21,5)19(18)16-22(36)35(32,34)28(39)47-33/h16,18,20-27,36-38,40H,8-15,17H2,1-7H3,(H,41,42,43)/t18-,20-,21+,22-,23+,24+,25+,26+,27-,31-,32-,33-,34-,35-/m1/s1
SMILES CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(OC5OCC(OS(=O)(=O)O)C(O)C5O)C6(C)C)C3(C)CCC24O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHolothuriidaeHolothuria leucospilota Ref.
zoom in



OrganismHolothuria leucospilota
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165