input word = C00031989

Metabolite InformationStructural formula
Name Lushanrubescensin H
(+)-Lushanrubescensin H
Formula C22H30O6
Mw 390.20423869
CAS RN 476640-22-9
C_ID C00031989 ,
InChIKey RAWOPLHURKGKQI-WRRWJVPKNA-N
InChICode InChI=1S/C22H30O6/c1-12-14-5-6-15-21(9-14,18(12)25)19(26)27-11-22(15)16(10-23)20(3,4)8-7-17(22)28-13(2)24/h14-17,23H,1,5-11H2,2-4H3/t14-,15-,16-,17+,21+,22-/m1/s1
SMILES [C@]123[C@@H](CC[C@@H](C(=C)C1=O)C3)[C@]1(COC2=O)[C@@H](C(CC[C@@H]1OC(=O)C)(C)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
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OrganismIsodon rubescens var. lushanensis
ReferenceHan,Chem.Pharm.Bull.,51,(2003),790