Description
IUPAC Name: 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
InChI: InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1
InChIKey: CDYBOKJASDEORM-HBVDJMOISA-N
Canonical SMILES: C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
Isomeric SMILES: C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Synonyms: Isomangiferin; 24699-16-9; 9H-Xanthen-9-one, 4-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-; 1,3,6,7-Tetrahydroxy-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one; 4-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one; JJ747C4BW7; SCHEMBL20597612; CHEBI:80840; …
Botanical Source: Anemarrhena asphodeloides Bge.