Description
Isohemiphloin isolated from the roots of Dalbergia odorifera.
Synonyms
(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone; (1S)-1,5-Anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo- 3,4-dihydro-2H-chromen-8-yl]-D-glucitol
IUPAC Name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Molecular Formula
C21H22O10
Canonical SMILES
C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14+,17+,18-,19+,21-/m0/s1
InChIKey
VPQWOQSQAVBHEV-VHLXACGYSA-N