input word = C00021739

Metabolite InformationStructural formula
Name Laccijalaric ester II
Formula C31H50O8
Mw 550.35056857
CAS RN 53837-81-3
C_ID C00021739 ,
InChIKey XKNBGOSVAIKPEF-GTRRYWCANA-N
InChICode InChI=1S/C31H50O8/c1-30(2)23-19-31(21(20-33)15-16-26(30)31)27(18-22(23)29(37)38)39-28(36)14-10-5-3-4-8-12-24(34)25(35)13-9-6-7-11-17-32/h18,20-21,23-27,32,34-35H,3-17,19H2,1-2H3,(H,37,38)/t21-,23?,24-,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@@H]([C@H](CCCCCCO)O)O)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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OrganismButea monosperma
ReferenceSingh,Tetrahedron,30,(1974),867