input word = C00021042

Metabolite InformationStructural formula
Name Ivalbin
Formula C15H22O4
Mw 266.15180919
CAS RN 7544-65-2
C_ID C00021042 ,
InChIKey TVKYSIIBPQZNFW-YYEOQGHONA-N
InChICode InChI=1S/C15H22O4/c1-8-6-14-12(10(3)15(18)19-14)5-4-11(8)13(17)7-9(2)16/h4,8-9,12-14,16-17H,3,5-7H2,1-2H3/t8-,9-,12+,13-,14-/m0/s1
SMILES C1(=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)[C@H](C[C@H](C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva dealbata Ref.
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