loganate

Chemical Formula:

C₁₆H₂₃O₁₀

Molecular Weight:

375.352 Daltons

Monoisotopic Mass:

376.1369469914 Daltons

SMILES:

CC1(C(O)C[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C([O-])=O)3))

InChI:

1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/p-1/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1

InChIKey:

JNNGEAWILNVFFD-CDJYTOATSA-M

Synonyms

loganic acid

Databases

MetaCyc: LOGANATE

ChEBI: 18052

PubChem (CID): 5460138

KEGG: C01512

Seed: cpd01069

MetaNetX: MNXM2252

3DMET: B01460

CAS: 22255-40-9