input word = C00031860

Metabolite InformationStructural formula
Name Hispanone
Formula C20H28O2
Mw 300.20893014
CAS RN 82462-67-7
C_ID C00031860 ,
InChIKey DGCSFZBBNZMTAQ-HOFUVJEBNA-N
InChICode InChI=1S/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h8,11,13,18H,5-7,9-10,12H2,1-4H3/t18-,20+/m0/s1
SMILES C1CC([C@H]2[C@](C1)(C(=C(C(=O)C2)C)CCc1cocc1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
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