input word = C00021117

Metabolite InformationStructural formula
Name 8-epi-Helenalin
Formula C15H18O4
Mw 262.12050906
CAS RN 97643-91-9
C_ID C00021117 ,
InChIKey ZVLOPMNVFLSSAA-FVDCJUDTNA-N
InChICode InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)O)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens (L.) GREUTER Ref.
PlantaeAsteraceaeInula britannica Ref.
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