Description
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
InChI: InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChIKey: PUQSUZTXKPLAPR-UJPOAAIJSA-N
Canonical SMILES: C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O
Isomeric SMILES: C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Synonyms: Gastrodin; 62499-27-8; Gastrodine; Gastrodin Hemihydrate; UNII-5YS9U2W3RQ; 5YS9U2W3RQ; 4-(Hydroxymethyl)phenyl beta-D-Glucopyranoside; beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl; …
Botanical Source: Gastrodia elata Bl.