input word = C00023534

Metabolite InformationStructural formula
Name Montanin C
Formula C24H30O8
Mw 446.19406794
CAS RN 67987-83-1
C_ID C00023534 ,
InChIKey AFRNHJDBERWLNW-CTVBFKEHNA-N
InChICode InChI=1S/C24H30O8/c1-14-9-20(31-16(3)26)24(13-29-15(2)25)19(5-4-7-22(24)12-30-22)23(14)10-18(32-21(23)27)17-6-8-28-11-17/h6,8,11,14,18-20H,4-5,7,9-10,12-13H2,1-3H3/t14-,18+,19-,20+,22+,23-,24+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@]1([C@@H](C[C@@H]3OC(=O)C)C)C[C@H](OC1=O)c1cocc1)COC(=O)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium montanum Ref.
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