input word = C00013108

Metabolite InformationStructural formula
Name Cathedulin 5
Catheduline 5
Catheduline E 5
Catheduline E 6 6-acetate
Formula C59H64N2O23
Mw 1168.38998637
CAS RN 61230-24-8
C_ID C00013108 ,
InChIKey QLSLPDXKDKRAGO-UHFFFAOYNA-N
InChICode InChI=1S/C59H64N2O23/c1-29-30(2)49(65)80-46-44(77-31(3)62)48(81-51(67)34-18-14-13-15-19-34)58(28-76-50(66)35-20-16-22-60-26-35)47(82-54(70)55(6,7)83-33(5)64)43(79-52(68)36-24-38(72-10)42(74-12)39(25-36)73-11)40-45(78-32(4)63)59(58,57(46,9)71)84-56(40,8)27-75-53(69)37-21-17-23-61-41(29)37/h13-26,29-30,40,43-48,71H,27-28H2,1-12H3/t29-,30-,40-,43+,44-,45-,46-,47+,48+,56-,57-,58-,59+/m0/s1
SMILES COc1cc(C(=O)OC2C3C(OC(C)=O)C45OC3(C)COC(=O)c3cccnc3C(C)C(C)C(=O)OC(C(OC(C)=O)C(OC(=O)c3ccccc3)C4(COC(=O)c3cccnc3)C2OC(=O)C(C)(C)OC(C)=O)C5(C)O)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCatha edulis Ref.
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