input word = C00047341

Metabolite InformationStructural formula
Name Rabdokunmin A
Formula C22H32O6
Mw 392.21988875
CAS RN 126005-65-0
C_ID C00047341 ,
InChIKey LRAPSEMSDUSGKJ-YAYYICLTNA-N
InChICode InChI=1S/C22H32O6/c1-10-14-15(25)16(26)17-21(5)8-6-7-20(3,4)12(21)9-13(24)22(17,18(10)27)19(14)28-11(2)23/h12-17,19,24-26H,1,6-9H2,2-5H3/t12-,13-,14+,15-,16+,17+,19-,21-,22-/m1/s1
SMILES [C@@H]1([C@]23[C@@H](C[C@H]4[C@]([C@@H]2[C@H]([C@@H]([C@@H]1C(=C)C3=O)O)O)(CCCC4(C)C)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon kunmingensis Ref.
PlantaeLabiataeIsodon scoparius Ref.
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OrganismIsodon kunmingensis
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)