input word = C00021738

Metabolite InformationStructural formula
Name Laccijalaric ester I
Formula C31H48O6
Mw 516.34508926
CAS RN 53837-80-2
C_ID C00021738 ,
InChIKey FJAGWFBMJSFCTD-MTIXGILNNA-N
InChICode InChI=1S/C31H48O6/c1-30(2)25-21-31(23(22-33)17-18-26(30)31)27(20-24(25)29(35)36)37-28(34)16-14-12-10-8-6-4-3-5-7-9-11-13-15-19-32/h3,5,20,22-23,25-27,32H,4,6-19,21H2,1-2H3,(H,35,36)/b5-3-/t23-,25?,26-,27-,31-/m0/s1
SMILES C1C[C@H]([C@]23[C@@H]1C([C@@H](C2)C(=C[C@@H]3OC(=O)CCCCCCC/C=C\CCCCCCO)C(=O)O)(C)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeButea monosperma Ref.
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