GHS
GHS Classification Search
(3aR,5R,6S,7S,7aR)-5-[(I(2)-D-Glucopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one
CAS Number: 396714-64-0
IUPAC name: (3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxyphenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
Molecular formula: C19H25NO12
Molecular weight: 459.4
InChI: InChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
InChIKey: UQUJYJFBLXCVJV-NNUBVHJDSA-N
SMILES: C1=CC=C(C(=C1)N2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)OC2=O)O
EINECS: -
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