input word = C00043918

Metabolite InformationStructural formula
Name Sibiricinone B
(+)-Sibiricinone B
Formula C20H28O5
Mw 348.193674
CAS RN 680618-60-4
C_ID C00043918 ,
InChIKey XMFSQKSJFSGAHJ-ODAYJQDTNA-N
InChICode InChI=1S/C20H28O5/c1-11-13(7-6-12-10-14(21)25-18(12)24)20(4)9-5-8-19(2,3)17(20)16(23)15(11)22/h10,16-18,23-24H,5-9H2,1-4H3/t16-,17-,18+,20-/m1/s1
SMILES C1(=C([C@@]2([C@H]([C@@H](C1=O)O)C(CCC2)(C)C)C)CCC1=CC(=O)O[C@@H]1O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus sibiricus Ref.
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