HIT ID: HIT100514179
Cas No: 1212148-58-7
分子式: C15H18O8
分子量: 326.301
常用名: Secodihydro-hydramicromelin B
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 0.353
IUPAC: 3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid
IUPAC: 3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid
SMILES: COc1cc(O)c(CCC(O)=O)cc1C1OC(=O)C(C)(O)C1O
SMILES: COc1cc(O)c(CCC(O)=O)cc1C1OC(=O)C(C)(O)C1O
InChI key: BNLUQONOBPMVBG-UHFFFAOYSA-N