input word = C00022268

Metabolite InformationStructural formula
Name Hispanolone
Formula C20H30O3
Mw 318.21949482
CAS RN 18676-07-8
C_ID C00022268 ,
InChIKey UVKYPKNCQJIGKV-NXKBLUMHNA-N
InChICode InChI=1S/C20H30O3/c1-14-16(21)12-17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h7,11,13-14,17,22H,5-6,8-10,12H2,1-4H3/t14-,17+,19+,20-/m1/s1
SMILES C1CC([C@H]2[C@](C1)([C@]([C@@H](C(=O)C2)C)(CCc1cocc1)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota hispanica Ref.
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
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