input word = C00008511

Metabolite InformationStructural formula
Name Lupiniol A1
Lupiniol A2
Formula C25H28O6
Mw 424.18858863
CAS RN 162616-67-3,162681-79-0
C_ID C00008511 ,
InChIKey RQNQKHOOFUCYRD-ZLFMOQDXNA-N
InChICode InChI=1S/C25H28O6/c1-13(2)5-10-17-23(29)18(11-19(27)14(3)4)24(30)22-20(28)12-21(31-25(17)22)15-6-8-16(26)9-7-15/h5-9,19,21,26-27,29-30H,3,10-12H2,1-2,4H3/t19-,21+/m1/s1
SMILES c1(c(c2c(c(c1O)CC=C(C)C)O[C@@H](CC2=O)c1ccc(cc1)O)O)C[C@H](C(=C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus luteus Ref.
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