esculin
Chemical Formula:
C15H16O9
Molecular Weight:
340.286 Daltons
Monoisotopic Mass:
340.0794321125 Daltons
SMILES:
C(O)C1(OC(C(O)C(O)C(O)1)OC3(=CC2(C=CC(OC=2C=C(O)3)=O)))
InChI:
1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey:
Synonyms
- aesculin
- 7-hydroxy-6-cumarinyl-glucosid
- esculetin glukosid
Databases
MetaCyc:
CPD-14461
MetaboLights:
MTBLC4853
HMDB:
HMDB30820
ChEBI:
4853
KEGG:
C09264
PubChem (CID):
5281417
RefMet:
Esculin
Seed:
cpd06159
MetaNetX:
MNXM52575