input word = C00013127

Metabolite InformationStructural formula
Name Neoeuonymine
Formula C36H45NO17
Mw 763.26874902
CAS RN 33510-25-7
C_ID C00013127 ,
InChIKey NKTOESKXBIEREY-UHFFFAOYNA-N
InChICode InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)23-27(43)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16-,23-,25-,26+,27-,28+,29+,30-,33+,34+,35+,36+/m0/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus sieboldiana Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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