input word = C00039729

Metabolite InformationStructural formula
Name Mandarone A
Formula C20H26O3
Mw 314.1881947
CAS RN 61494-73-3
C_ID C00039729 ,
InChIKey VWUIHEHESVHLRX-RSGSQYTANA-N
InChICode InChI=1S/C20H26O3/c1-11(2)12-8-13-14(9-15(12)21)20(5)7-6-18(23)19(3,4)17(20)10-16(13)22/h8-9,11,17,21H,6-7,10H2,1-5H3/t17-,20-/m1/s1
SMILES C1C(=O)C([C@@H]2[C@](C1)(c1c(C(=O)C2)cc(c(c1)O)C(C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum mandarinorum Diels Ref.
zoom in