input word = C00003456

Metabolite InformationStructural formula
Name Montanin A
Formula C19H20O4
Mw 312.13615913
CAS RN 68370-49-0
C_ID C00003456 ,
InChIKey CZGWUKXZLUIKBU-VTXWLDSXNA-N
InChICode InChI=1S/C19H20O4/c1-11-7-15-17-13(10-22-15)3-2-4-14(17)19(11)8-16(23-18(19)20)12-5-6-21-9-12/h5-6,9-11,14,16H,2-4,7-8H2,1H3/t11-,14+,16+,19-/m1/s1
SMILES C[C@@H]1Cc2occ3c2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium montanum Ref.
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