input word = C00050834

Metabolite InformationStructural formula
Name Inflexarabdonin J
Formula C20H30O3
Mw 318.21949482
CAS RN 148225-30-3
C_ID C00050834
InChIKey ZEYLLKMAEPADQS-AMVFDQBMNA-N
InChICode InChI=1S/C20H30O3/c1-11-12-9-13(21)16-19(4)7-6-15(22)18(2,3)14(19)5-8-20(16,10-12)17(11)23/h12-14,16-17,21,23H,1,5-10H2,2-4H3/t12-,13+,14-,16+,17-,19-,20-/m1/s1
SMILES C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
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