input word = C00048174

Metabolite InformationStructural formula
Name Swietenitin L
Formula C42H54O19
Mw 862.32592955
CAS RN 1173892-14-2
C_ID C00048174 ,
InChIKey DAEKRFAIUXMGIW-UHFFFAOYNA-N
InChICode InChI=1S/C42H54O19/c1-12-26(46)55-31-40(58-22(4)44)30(56-32(49)35(7)20(2)57-35)33(5)19-38(40,50)36(8,24(33)15-27(47)51-10)41-25(45)16-34(6,29(54-21(3)43)23-13-14-53-18-23)39(17-28(48)52-11)42(31,41)61-37(9,59-39)60-41/h13-14,18,20,24-25,29-31,45,50H,12,15-17,19H2,1-11H3/t20-,24-,25-,29+,30+,31-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42+/m1/s1
SMILES CCC(=O)OC1C2(OC(C)=O)C(OC(=O)C3(C)OC3C)C3(C)CC2(O)C(C)(C3CC(=O)OC)C23OC4(C)OC(CC(=O)OC)(C(C)(C(OC(C)=O)c5ccoc5)CC2O)C13O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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