1-Hydroxypyrene β-D-glucuronide
HIT219586741
sdf文件结构编辑类似物检索
HIT ID: HIT219586741
Cas No: 154717-05-2
分子式: C22H18O7
分子量: 394.379
常用名: 1-Hydroxypyrene β-D-glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(pyren-1-yloxy)oxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(pyren-1-yloxy)oxane-2-carboxylic acid
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)O[C@@H]([C@H]1O)C(O)=O
SMILES: O[C@@H]1[C@@H](O)[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)O[C@@H]([C@H]1O)C(O)=O
InChI key: BUCREAQPYGLZLI-SXFAUFNYSA-N
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