input word = C00050184

Metabolite InformationStructural formula
Name Pannellin 1-O-acetate
(-)-Pannellin 1-O-acetate
Formula C30H28O10
Mw 548.16824712
CAS RN 217466-04-1
C_ID C00050184 ,
InChIKey ZWGZFGVICLTCML-OEMXFSIHNA-N
InChICode InChI=1S/C30H28O10/c1-16(31)39-27-22(28(32)36-4)23(17-8-6-5-7-9-17)30(18-10-12-19(34-2)13-11-18)29(27,33)24-20(40-30)14-21-25(26(24)35-3)38-15-37-21/h5-14,22-23,27,33H,15H2,1-4H3/t22-,23-,27-,29+,30+/m1/s1
SMILES C1Oc2c(O1)cc1c(c2OC)[C@]2([C@@](O1)([C@@H]([C@H]([C@H]2OC(=O)C)C(=O)OC)c1ccccc1)c1ccc(cc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia spp. Ref.
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