记录说明
bifuhalol 收自 LOTUS、COCONUT。关联生物包括 Sargassum spinuligerum、Cystoseira granulata、Bifurcaria bifurcata等 6 个名称。来源库给出的结构类是「Oligomeric phloroglucinols (phlorotannins)」。
褐藻聚酮公开记录
bifuhalol
- 分子式
- C12H10O7
- 精确质量
- 266.042653
- 平均分子量
- 266.20
- PubChem
- CID 314874
质量核对：来源记录的单同位素质量与分子式一致（≤ 10 ppm）。 由分子式计算 266.042653。
来源
学名照录来源库原文，不是重新做的分类鉴定。
标识符
SMILES
Oc1cc(O)c(Oc2cc(O)c(O)c(O)c2)c(O)c1
InChIKey
PYUFXOMNRPZYTI-UHFFFAOYSA-N
CAS
- 53254-99-2两处一致
IUPAC
2-(3,4,5-trihydroxyphenoxy)benzene-1,3,5-triol
计算描述符（不是实验测定）: XLogP 1.66 · tPSA 131 · HBD 6 · HBA 0 · 原始分类 Oligomeric phloroglucinols (phlorotannins)
出处说明
- LOTUS LTS0160961。提供结构，以及该索引里照录的学名。
- PubChem CID 314874。提供化合物编号。登记号只取登记号交叉引用，不从名称推断。
- COCONUT CNP0115737.0，2026-10 公开 CSV。提供结构和照录的学名。cas 列按完整 InChIKey 对照。
- LOTUS PYUFXOMNRPZYTI-UHFFFAOYSA-N。提供结构，以及该索引里照录的学名。
相近条目
- (-)-MedicocarpinC22H24O9
- (~{E})-[3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-[4-hydroxy-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(~{E})-3-[4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(~{E})-3-[4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]chromen-7-ylidene]-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[1-hydroxy-3-(4-oxocyclohexa-2,5-dien-1-ylidene)prop-1-enoxy]methyl]tetrahydropyran-2-yl]oxonium[C75H81O40]+
- (~{E})-[5-hydroxy-2-[4-hydroxy-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(~{E})-3-[3-hydroxy-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(~{E})-3-[3-hydroxy-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-7-ylidene]-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[1-hydroxy-3-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)prop-1-enoxy]methyl]tetrahydropyran-2-yl]oxonium[C72H79O40]+
- (~{E})-[5-hydroxy-2-[4-hydroxy-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(~{E})-3-[4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(~{E})-3-[4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-7-ylidene]-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[1-hydroxy-3-(4-oxocyclohexa-2,5-dien-1-ylidene)prop-1-enoxy]methyl]tetrahydropyran-2-yl]oxonium[C72H79O37]+