input word = C00013112

Metabolite InformationStructural formula
Name Cathedulin K 6
Catheduline K 6
Formula C38H49NO18
Mw 807.29496377
CAS RN 68419-28-3
C_ID C00013112 ,
InChIKey VIWDKWVPCGPPLP-UHFFFAOYNA-N
InChICode InChI=1S/C38H49NO18/c1-16-17(2)31(46)54-28-25(45)29(53-20(5)43)37(14-40)30(55-33(48)34(7,8)56-21(6)44)26(51-18(3)41)23-27(52-19(4)42)38(37,36(28,10)49)57-35(23,9)15-50-32(47)22-12-11-13-39-24(16)22/h11-13,16-17,23,25-30,40,45,49H,14-15H2,1-10H3/t16-,17-,23+,25+,26-,27+,28+,29-,30+,35-,36+,37+,38-/m1/s1
SMILES CC(=O)OC1C2C(OC(C)=O)C34OC2(C)COC(=O)c2cccnc2C(C)C(C)C(=O)OC(C(O)C(OC(C)=O)C3(CO)C1OC(=O)C(C)(C)OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCatha edulis Ref.
zoom in