7-deoxyloganate

Chemical Formula:

C₁₆H₂₃O₉

Molecular Weight:

359.352 Daltons

Monoisotopic Mass:

360.1420323693 Daltons

SMILES:

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

InChI:

1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/p-1/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1

InChIKey:

DSXFHNSGLYXPNG-YDYVGBNJSA-M

Synonyms

7-deoxyloganic acid

Databases

MetaCyc: CPD-9981

PubChem (CID): 51399546

ChEBI: 76844

KEGG: C11636

Seed: cpd08447

MetaNetX: MNXM5578