input word = C00035728

Metabolite InformationStructural formula
Name Preleoheterin
Formula C20H30O4
Mw 334.21440945
CAS RN 151178-05-1
C_ID C00035728 ,
InChIKey LRQKKQYUECPRMI-SCNUPQGLNA-N
InChICode InChI=1S/C20H30O4/c1-13-14(21)15(22)16-17(2,3)6-5-7-18(16,4)20(13)9-8-19(24-20)10-11-23-12-19/h10-11,13-14,16,21H,5-9,12H2,1-4H3/t13-,14-,16+,18+,19-,20-/m1/s1
SMILES C1CC([C@H]2[C@](C1)([C@]1([C@@H]([C@H](C2=O)O)C)CC[C@@]2(O1)C=COC2)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus Ref.
PlantaeLabiataeOtostegia fruticosa Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
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OrganismLeonurus heterophyllus
ReferencePoming, et al., Phytochemistry, 33, (1993), 639.

Zhang, et al., NPRD, 15, (2003), 162