记录说明
(S)-(+)-Kjellmanianone 收自 COCONUT、NPASS。关联生物包括 Sargassum miyabei。来源库给出的结构类是「Organooxygen compounds」。
- 分子式
- C8H10O5
- 精确质量
- 186.052820
- 平均分子量
- 186.16
- PubChem
- —
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 186.052823。
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
COC(=O)[C@]1(O)CC(OC)=CC1=O
InChIKey
YGCFLXLGPRNGTJ-QMMMGPOBSA-N
CAS
- 76280-92-7COCONUT
- 仅 COCONUT 的 cas 格：76280-92-7。两边都保留。
IUPAC
methyl (1~{S})-1-hydroxy-4-methoxy-2-oxo-cyclopent-3-ene-1-carboxylate
原始分类 Organooxygen compounds
出处说明
- COCONUT CNP0257075.2，2026-10 公开 CSV。提供结构和照录的学名。cas 列按完整 InChIKey 对照。
- NPASS NPC553815。提供学名。数值不改写成功效。
- 仅 COCONUT 的 cas 格：76280-92-7。两边都保留。
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]+