input word = C00028444

Metabolite InformationStructural formula
Name Laevisine B
Formula C42H48N2O18
Mw 868.29021275
CAS RN 220383-13-1
C_ID C00028444 ,
InChIKey HOVAJBGLRBTHLV-UHFFFAOYNA-N
InChICode InChI=1S/C42H48N2O18/c1-20-13-14-28-27(12-10-16-44-28)38(52)55-18-39(7)29-30(56-22(3)46)34(59-25(6)49)41(19-54-21(2)45)35(61-37(51)26-11-9-15-43-17-26)31(57-23(4)47)33(60-36(20)50)40(8,53)42(41,62-39)32(29)58-24(5)48/h9-12,15-17,20,29-35,53H,13-14,18-19H2,1-8H3/t20-,29-,30+,31-,32+,33-,34-,35+,39+,40-,41-,42+/m0/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1cccnc1)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus laevis Ref.
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