Description
IUPAC Name: (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
InChI: InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
InChIKey: CWMIROLCTHMEEO-JJXSEGSLSA-N
Canonical SMILES: C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O
Isomeric SMILES: C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)[C@H]([C@@H]([C@@H]([C@H]3O)O)O)O
Synonyms: Agarotetrol; 69809-22-9; Agarotetrol (AHl); (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one; (5S)-5,6,7,8-Tetrahydro-5alpha,6beta,7beta,8alpha-tetrahydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; Agarotetrol(AHl); CHEBI:189508; HY-N1468; …
Botanical Source: Lignum Aquilariae Agallochae Resinatum