input word = C00013159

Metabolite InformationStructural formula
Name Neoalatamine
O6-Deacetylalatamine
O2-benzoyl-O2,O6-dideacetyl-26-hydroxyevonimine
Formula C39H43NO17
Mw 797.25309896
CAS RN 89945-78-8
C_ID C00013159 ,
InChIKey DOPLLASTCBXBIS-UHFFFAOYNA-N
InChICode InChI=1S/C39H43NO17/c1-19(41)51-18-38-29(53-20(2)42)26(44)25-28(45)39(38)37(6,50)30(27(31(38)54-21(3)43)55-32(46)22-11-8-7-9-12-22)56-34(48)35(4,49)15-14-24-23(13-10-16-40-24)33(47)52-17-36(25,5)57-39/h7-13,16,25,27-31,45,49-50H,14-15,17-18H2,1-6H3/t25-,27-,28+,29+,30+,31+,35-,36+,37-,38+,39+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus alatus Ref.
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