input word = C00019862

Metabolite InformationStructural formula
Name 2'-Epiisotriptiliocoumarin
Formula C25H30O3
Mw 378.21949482
CAS RN 118555-94-5
C_ID C00019862 ,
InChIKey MYDHIEBHOGWYCY-RZQLXNTJNA-N
InChICode InChI=1S/C25H30O3/c1-16(2)10-7-11-17(3)12-9-15-25(6)19(5)22-23(28-25)21-18(4)13-8-14-20(21)27-24(22)26/h8-10,12-15,19H,7,11H2,1-6H3/b15-9+,17-12+/t19-,25-/m1/s1
SMILES c1ccc2c(c1C)c1c(c(=O)o2)[C@H]([C@@](O1)(C)/C=C/C=C(/CCC=C(C)C)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTriptilion benaventei Ref.
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OrganismTriptilion benaventei
ReferenceBittner,Phytochem.,27,(1988),3263