input word = C00023271

Metabolite InformationStructural formula
Name 2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one
Formula C13H16O3
Mw 220.10994438
CAS RN 79694-80-7
C_ID C00023271 ,
InChIKey PXOSMMQRWXMSBG-UHFFFAOYNA-N
InChICode InChI=1S/C13H16O3/c1-8(14)9-4-5-12-10(6-9)11(15)7-13(2,3)16-12/h4-6,8,14H,7H2,1-3H3/t8-/m1/s1
SMILES c1cc(cc2c1OC(CC2=O)(C)C)[C@H](O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogonia grazielae Ref.
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OrganismTrichogonia grazielae
ReferenceBohlmann,Phytochem.,20,(1981),1323