(6S,9R)-vomifoliol

(6<i>S</i>,9<i>R</i>)-vomifoliol




Chemical Formula:
C13H20O3
Molecular Weight:
224.299 Daltons
Monoisotopic Mass:
224.1412445083 Daltons
SMILES:
CC1(=CC(=O)CC(C)(C)C(O)(C=CC(C)O)1)
InChI:
1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
InChIKey:
KPQMCAKZRXOZLB-KOIHBYQTSA-N

Synonyms
  • (+-)-6-hydroxy-3-oxo-α-ionol
  • (6S,9R)-6-hydroxy-3-oxo-α-ionol
  • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

Databases
MetaCyc:  --6-HYDROXY-3-OXO-ALPHA-IONOL
KEGG:  C01760
PubChem (CID):  5280462
ChEBI:  49164
MetaboLights:  MTBLC49164
ChemSpider:  4444253
RefMet:  (6S,9R)-Vomifoliol
MetaNetX:  MNXM3756