input word = C00021695

Metabolite InformationStructural formula
Name Acetylivalin
Formula C17H22O4
Mw 290.15180919
CAS RN 60109-20-8
C_ID C00021695 ,
InChIKey QPWCHXDSBJOZCP-JGOXNQSANA-N
InChICode InChI=1S/C17H22O4/c1-9-5-12(20-11(3)18)7-17(4)8-15-13(6-14(9)17)10(2)16(19)21-15/h12-15H,1-2,5-8H2,3-4H3/t12-,13+,14-,15+,17+/m0/s1
SMILES [C@@H]1(CC(=C)[C@H]2[C@](C1)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula royleana Ref.
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