input word = C00019899

Metabolite InformationStructural formula
Name 5alpha'-Hydroxy-6',7'-epoxytriptiliocoumarin
Formula C25H30O5
Mw 410.20932407
CAS RN 118555-93-4
C_ID C00019899 ,
InChIKey DWOGRBCRLCTXJF-GYESDNCJNA-N
InChICode InChI=1S/C25H30O5/c1-7-23(5)14-25(27,22-24(6,30-22)13-9-10-15(2)3)29-20-18-16(4)11-8-12-17(18)28-21(26)19(20)23/h7-8,10-12,22,27H,1,9,13-14H2,2-6H3/t22-,23+,24-,25-/m1/s1
SMILES C=C[C@@]1(C)C[C@](O)(C2O[C@]2(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTriptilion benaventei Ref.
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