2-(6-oxo-1-oxaspiro[2.5]octa-4-glucosyl)-6-hydroxy-1-benzofuran-3-one

Chemical Formula:

C₂₁H₂₂O₁₀

Molecular Weight:

434.399 Daltons

Monoisotopic Mass:

434.1212969272 Daltons

SMILES:

C5(C=C4(C(=O)[CH](C3(OC2(C=C[CH](OC1(C(C(C(O)C(O1)CO)O)O))C=C2)3))OC4=CC(O)=5))

InChI:

1S/C21H22O10/c22-8-13-15(25)16(26)17(27)20(30-13)28-10-3-5-21(6-4-10)19(31-21)18-14(24)11-2-1-9(23)7-12(11)29-18/h1-7,10,13,15-20,22-23,25-27H,8H2/t10?,13-,15-,16+,17-,18?,19?,20-,21?/m1/s1

InChIKey:

LYAYHRQWYQGYJH-AOFOMWIKSA-N

Databases

MetaCyc: CPD-17479

PubChem (CID): 91820014

MetaNetX: MNXM147712