input word = C00046555

Metabolite InformationStructural formula
Name 12-epi-Montanin D
Formula C20H26O6
Mw 362.17293856
CAS RN 281213-26-1
C_ID C00046555 ,
InChIKey BWDPEGUHIBSSSY-ONZXPNDBNA-N
InChICode InChI=1S/C20H26O6/c1-12-7-16(22)20-11-25-18(20,10-21)5-2-3-15(20)19(12)8-14(26-17(19)23)13-4-6-24-9-13/h4,6,9,12,14-16,21-22H,2-3,5,7-8,10-11H2,1H3/t12-,14-,15-,16-,18+,19-,20+/m1/s1
SMILES C1[C@H]([C@]2([C@@H]3[C@@]4([C@@H]1O)[C@@](CCC3)(OC4)CO)C(=O)O[C@H](C2)c1ccoc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium maghrebinum Ref.
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OrganismTeucrium maghrebinum
ReferenceBruno,J.Nat.Prod.,63,(2000),1029