input word = C00013107

Metabolite InformationStructural formula
Name Alatusinine
(8a)-8-(Acetyloxy)-8-deoxo-26-hydroxyevonimine
Formula C38H47NO19
Mw 821.27422833
CAS RN 89945-79-9
C_ID C00013107 ,
InChIKey PDOVVPMFGOLGNT-UHFFFAOYNA-N
InChICode InChI=1S/C38H47NO19/c1-17(40)50-16-37-30(55-21(5)44)26(52-18(2)41)25-28(54-20(4)43)38(37)36(9,49)29(27(53-19(3)42)31(37)56-22(6)45)57-33(47)34(7,48)13-12-24-23(11-10-14-39-24)32(46)51-15-35(25,8)58-38/h10-11,14,25-31,48-49H,12-13,15-16H2,1-9H3/t25-,26-,27+,28+,29-,30-,31-,34+,35+,36-,37-,38+/m0/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(O)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
PlantaeCelastraceaeAustroplenckia populnea var. ovata Ref.
PlantaeCelastraceaeEuonymus alatus Ref.
PlantaeCelastraceaeMaytenus chiapensis Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
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