2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one

Chemical Formula:

C₂₁H₂₂O₁₁

Molecular Weight:

450.398 Daltons

Monoisotopic Mass:

450.11621154930003 Daltons

SMILES:

C2(C=C(OC1(C(C(C(O)C(O1)CO)O)O))C=CC=2C(OO)C3(OC4(C(C(=O)3)=CC=C(O)C=4)))

InChI:

1S/C21H22O11/c22-8-14-16(25)17(26)18(27)21(31-14)29-11-4-1-9(2-5-11)19(32-28)20-15(24)12-6-3-10(23)7-13(12)30-20/h1-7,14,16-23,25-28H,8H2/t14-,16-,17+,18-,19?,20?,21-/m1/s1

InChIKey:

NPIHSZVTLIVPAU-FFXKVATBSA-N

Databases

MetaCyc: CPD-17478

PubChem (CID): 91820401

MetaNetX: MNXM147369