input word = C00031897

Metabolite InformationStructural formula
Name Rabdophyllin G
Rabdosin C
Isodonoiol
Formula C22H30O7
Mw 406.19915331
CAS RN 82460-75-1
C_ID C00031897 ,
InChIKey OCELUFZNLBUKGF-UHFFFAOYNA-N
InChICode InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h13-17,23,25H,1,5-10H2,2-4H3/t13-,14-,15+,16+,17-,21+,22-/m0/s1
SMILES C1(CC[C@@H]2[C@]([C@@H]1CO)([C@@H]1[C@]3(C(=O)O2)C[C@H](C[C@@H]1O)C(=C)C3=O)COC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
PlantaeLamiaceaeRabdosia japonica Ref.
PlantaeLamiaceaeRabdosia macrophylla Ref.
PlantaeLamiaceaeRabdosia microphylla Ref.
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OrganismIsodon rubescens var. lushanensis
ReferenceHan,Chem.Pharm.Bull.,51,(2003),790