input word = C00046013

Metabolite InformationStructural formula
Name Hongencaotone
Formula C40H50O5
Mw 610.36582471
CAS RN 355419-84-0
C_ID C00046013 ,
InChIKey FDZOSTAWHXJLCT-DBLMZPDYNA-N
InChICode InChI=1S/C40H50O5/c1-21(2)24-17-23-18-29-40(37(7,8)14-12-16-39(40,10)30(23)33(43)32(24)42)45-34-25(22(3)4)19-26-27(41)20-28-36(5,6)13-11-15-38(28,9)31(26)35(34)44-29/h17-22,29,43H,11-16H2,1-10H3/t29-,38-,39+,40+/m1/s1
SMILES C1CC([C@]23[C@@](C1)(C1=C(C(=O)C(=CC1=C[C@H]2Oc1c(O3)c(cc2c1[C@]1(C(=CC2=O)C(CCC1)(C)C)C)C(C)C)C(C)C)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia prionitis Ref.
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