input word = C00037745

Metabolite InformationStructural formula
Name Roeperanone
(+)-Roeperanone
Formula C28H32O6
Mw 464.21988875
CAS RN 181361-67-1
C_ID C00037745 ,
InChIKey JTTFEYFSONRJOU-RQZCQDPDNA-N
InChICode InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-10-18(16(3)4)13-20-22(30)14-23(31)24-25(32)19-11-12-21(29)26(33)28(19)34-27(20)24/h7,9,11-12,14,18,29-31,33H,3,6,8,10,13H2,1-2,4-5H3/b17-9+/t18-/m0/s1
SMILES c12c(c(=O)c3c(o1)c(c(cc3)O)O)c(cc(c2C[C@H](C/C=C(/CCC=C(C)C)\C)C(=C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum roeperanum Ref.
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