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 [C@@H]1([C@@H]2[C@H]([C@@H]([C@]3([C@@]41[C@@]([C@H]([C@@H]([C@H]3OC(=O)C)O)OC(=O)[C@H](C)[C@@H](C)c1ncccc1C(=O)OC[C@]2(O4)C)(C)O)CO)OC(=O)C(C)(C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCatha edulis Ref.
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