Description
IUPAC Name: 1,3,7-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
InChI: InChI=1S/C19H18O10/c20-5-11-15(24)17(26)18(27)19(29-11)12-8(22)4-10-13(16(12)25)14(23)7-3-6(21)1-2-9(7)28-10/h1-4,11,15,17-22,24-27H,5H2/t11-,15-,17+,18-,19+/m1/s1
InChIKey: KRCBALDMBZQTIQ-ZJKJAXBQSA-N
Canonical SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O
Isomeric SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Synonyms: Neolancerin; 117221-65-5; HY-N8088; AKOS040763791; DA-76088; MS-26953; CS-0139930; E88655; …
Botanical Source: