input word = C00020962

Metabolite InformationStructural formula
Name 4-O-Tigloyl-11,13-dihydroautumnolide
Formula C20H28O6
Mw 364.18858863
CAS RN 67349-52-4
C_ID C00020962 ,
InChIKey YGMSBTYPDAMYOR-ZKYPTWNFNA-N
InChICode InChI=1S/C20H28O6/c1-6-8(2)18(22)26-17-15-14(25-15)13-9(3)7-11-12(10(4)19(23)24-11)16(21)20(13,17)5/h6,9-17,21H,7H2,1-5H3/b8-6+/t9-,10+,11-,12+,13-,14-,15-,16+,17+,20-/m1/s1
SMILES C/C=C(C)C(=O)O[C@H]1[C@@H]2O[C@@H]2[C@H]2[C@H](C)C[C@H]3OC(=O)[C@@H](C)[C@H]3[C@H](O)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium autumnale Ref.
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