input word = C00050630

Metabolite InformationStructural formula
Name 12-O-Methylcandesalvone B
Formula C21H28O6
Mw 376.18858863
CAS RN 618067-88-2
C_ID C00050630
InChIKey DEOPJRFMWFHGOH-XGGIZIQKNA-N
InChICode InChI=1S/C21H28O6/c1-10(2)12-9-13(22)16-17(21(12,5)8-7-14(23)24)19(26)20(27-6)15(11(3)4)18(16)25/h11-12,25-26H,1,7-9H2,2-6H3,(H,23,24)/t12-,21-/m0/s1
SMILES C=C(C)[C@@H]1CC(=O)c2c(O)c(C(C)C)c(OC)c(O)c2[C@@]1(C)CCOC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia candelabrum Ref.
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OrganismSalvia candelabrum
ReferenceHohmann, et al., Planta Med, 69, (2003), 254.

Janicsak, et al., Planta Med, 69, (2003), 1156