Dehydromonocrotaline
HIT219250992
sdf文件结构编辑类似物检索
HIT ID: HIT219250992
Cas No: 23291-96-5
分子式: C16H21NO6
分子量: 323.345
常用名: Dehydromonocrotaline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4R,5R,6R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0^{13,16}]hexadeca-10(16),11-diene-3,7-dione
IUPAC: (1R,4R,5R,6R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0^{13,16}]hexadeca-10(16),11-diene-3,7-dione
SMILES: [H][C@]12CCn3ccc(COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O1)c23
SMILES: [H][C@]12CCn3ccc(COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O1)c23
InChI key: ZONSVLURFASOJK-LLAGZRPASA-N
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