input word = C00063471

Metabolite InformationStructural formula
Name 5-Hydroxy-3-[(3R)-3-hydroxybutyl]-1(3H)-isobenzofuranone
Formula C12H14O4
Mw 222.08920894
CAS RN 946572-14-1
C_ID C00063471
InChIKey IMUDJPJBCPARAW-DKSCNQEISA-N
InChICode InChI=1S/C12H14O4/c1-7(13)2-5-11-10-6-8(14)3-4-9(10)12(15)16-11/h3-4,6-7,11,13-14H,2,5H2,1H3/t7-,11?/m1/s1
SMILES CC(O)CCC1OC(=O)c2ccc(O)cc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
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