input word = C00021045

Metabolite InformationStructural formula
Name Ivalbatin
Formula C15H20O4
Mw 264.13615913
CAS RN 37163-90-9
C_ID C00021045 ,
InChIKey RMNBDQLIVSJKBM-SGENTHRWNA-N
InChICode InChI=1S/C15H20O4/c1-8(16)4-5-11-6-14-12(7-13(17)9(11)2)10(3)15(18)19-14/h6,9,12-14,17H,3-5,7H2,1-2H3/t9-,12+,13-,14-/m1/s1
SMILES C=C1C(=O)O[C@H]2C=C(CCC(C)=O)[C@@H](C)[C@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva dealbata Ref.
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