input word = C00049927

Metabolite InformationStructural formula
Name 1-Deoxybacrispine
Formula C20H26O4
Mw 330.18310932
CAS RN 78499-91-9
C_ID C00049927 ,
InChIKey AQIUXCCPCWXHJS-SSDWFGIWNA-N
InChICode InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19-,20-/m1/s1
SMILES C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis crispa Ref.
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