input word = C00020033

Metabolite InformationStructural formula
Name Triptiliocoumarin
Formula C25H30O3
Mw 378.21949482
CAS RN 119365-36-5
C_ID C00020033 ,
InChIKey CZZAJXDYJLEVJF-JHRKWIDHNA-N
InChICode InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-23-21-18(5)12-9-13-20(21)28-24(26)22(23)25/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3/b17-14+/t19-,25+/m1/s1
SMILES C=C[C@@]1(C)C[C@@H](/C=C(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNassauvia digitata Ref.
PlantaeAsteraceaeTriptilion benaventei Ref.
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