input word = C00042178

Metabolite InformationStructural formula
Name 8,10-Epoxy-9-acetoxythymol angelate
Formula C17H20O5
Mw 304.13107375
CAS RN 152321-80-7
C_ID C00042178 ,
InChIKey XRTYDFQPBORLIK-XGICHPGQNA-N
InChICode InChI=1S/C17H20O5/c1-5-12(3)16(19)22-15-8-11(2)6-7-14(15)17(10-21-17)9-20-13(4)18/h5-8H,9-10H2,1-4H3/b12-5-/t17-/m1/s1
SMILES c1(ccc(cc1OC(=O)/C(=C\C)/C)C)[C@]1(COC(=O)C)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium kiirunense Ref.
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OrganismEupatorium kiirunense
ReferenceShen,J.Nat.Prod.,68,(2005),745