input word = C00021362

Metabolite InformationStructural formula
Name Capenicine
Formula C20H24O8
Mw 392.14711774
CAS RN 4678-67-5
C_ID C00021362 ,
InChIKey ABRBMEKBAGFFAI-DOCLRKJNNA-N
InChICode InChI=1S/C20H24O8/c1-7(2)10-11-17(23)26-12(10)13(21)18(4)19(14-15(27-14)20(11,18)24)6-9(8(3)28-19)16(22)25-5/h10-15,21,24H,1,6H2,2-5H3/t10-,11+,12+,13-,14+,15-,18-,19+,20-/m0/s1
SMILES [C@@]12([C@]([C@@H]3[C@@H]([C@H]([C@@H]1O)OC3=O)C(=C)C)([C@@H]1[C@H]([C@@]32CC(=C(O3)C)C(=O)OC)O1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeToxicodendron capense Ref.
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