input word = C00050183

Metabolite InformationStructural formula
Name Pannellin
(-)-Pannellin
Formula C28H26O9
Mw 506.15768243
CAS RN 217481-12-4
C_ID C00050183 ,
InChIKey WMHYJLIVXJIYCQ-LJZOYLLBNA-N
InChICode InChI=1S/C28H26O9/c1-32-17-11-9-16(10-12-17)28-21(15-7-5-4-6-8-15)20(26(30)34-3)25(29)27(28,31)22-18(37-28)13-19-23(24(22)33-2)36-14-35-19/h4-13,20-21,25,29,31H,14H2,1-3H3/t20-,21-,25-,27+,28+/m1/s1
SMILES COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc4c(c3OC)OCO4)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia edulis Ref.
PlantaeMeliaceaeAglaia spp. Ref.
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