input word = C00061261

Metabolite InformationStructural formula
Name beta-Iondiolone
Formula C13H22O3
Mw 226.15689457
CAS RN 28494-34-0
C_ID C00061261
InChIKey AYWGPQFATRWJMF-UHFFFAOYSA-N
InChICode InChI=1S/C13H22O3/c1-10(14)6-9-13(16)11(2,3)7-5-8-12(13,4)15/h6,9,15-16H,5,7-8H2,1-4H3
SMILES CC(=O)C=CC1(O)C(C)(C)CCCC1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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