input word = C00003408

Metabolite InformationStructural formula
Name Callicarpone
Formula C20H28O4
Mw 332.19875938
CAS RN 5938-11-4
C_ID C00003408 ,
InChIKey USEISAATSWUIGG-ZABVWABINA-N
InChICode InChI=1S/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16+,19-,20-/m0/s1
SMILES CC1(C)CCC[C@]2(C)C3=C(C[C@]4(C(C)(C)O)O[C@@H]4C3=O)C(=O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCallicarpa candicans Ref.
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