input word = C00019216

Metabolite InformationStructural formula
Name (1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Formula C23H24O9
Mw 444.14203237
CAS RN 223659-10-7
C_ID C00019216 ,
InChIKey XMGJLGOKKNELQY-PQBODMGLNA-N
InChICode InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18+,21-,23-/m1/s1
SMILES COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)[C@H](O)[C@@H](O)C(C)(C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDerris malaccensis Ref.
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