input word = C00021697

Metabolite InformationStructural formula
Name 8-epi-Ivangustin
Formula C15H20O3
Mw 248.1412445
CAS RN 68776-48-7
C_ID C00021697 ,
InChIKey BGEGQRAHHFWWJT-PTYUTRKINA-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/h10,12-13,16H,2,4-7H2,1,3H3/t10-,12+,13-,15-/m1/s1
SMILES C1CC(=C2[C@]([C@@H]1O)(C[C@H]1[C@H](C2)C(=C)C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula royleana Ref.
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