input word = C00021698

Metabolite InformationStructural formula
Name 8-epi-Isovangustin
Formula C15H20O3
Mw 248.1412445
CAS RN 68852-27-7
C_ID C00021698 ,
InChIKey SGRJYGRCAPBLSW-MVHFDTCXNA-N
InChICode InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11-,12+,13-,15-/m1/s1
SMILES C=C1C(=O)O[C@H]2C[C@]3(C)C(C[C@H]12)C(C)=CC[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
PlantaeAsteraceaeInula royleana Ref.
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