esculetin

esculetin




Chemical Formula:
C9H6O4
Molecular Weight:
178.144 Daltons
Monoisotopic Mass:
178.026608681 Daltons
SMILES:
C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))
InChI:
1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey:
ILEDWLMCKZNDJK-UHFFFAOYSA-N

Synonyms
  • 6,7-dihydroxycoumarin
  • 6,7-dihydroxy-2-chromenone
  • cichorigenin
  • 6,7-dihydroxy-1-benzopyran-2-one

Databases
MetaCyc:  CPD-8097
MetaboLights:  MTBLC490095
HMDB:  HMDB30819
ChemSpider:  4444764
ChEBI:  490095
Wikipedia:  Aesculetin
PubChem (CID):  5281416
KEGG:  C09263
RefMet:  Aesculetin
Seed:  cpd06158
MetaNetX:  MNXM8593