Hydroxyterferol

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C19H16O4/c1-23-16-11-15(12-7-9-14(20)10-8-12)18(21)19(22)17(16)13-5-3-2-4-6-13/h2-11,20-22H,1H3, and canonical SMILES descriptor[cheminf_000007]: COc1cc(c2ccc(cc2)O)c(c(c1c1ccccc1)O)O, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50760

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

CHMO:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)

CHMO:0000591 | nuclear magnetic resonance spectroscopy (NMR)

CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

本实体为生物感兴趣化学实体本体（Chemical Entities of Biological Interest，简称CHEBI）编号CHEBI_24431对应的物理化学实体，与某分子（CHEBI_25367）相关联。
该分子（CHEBI_25367）可通过以下结构描述符（化学信息本体（chemical information ontology，简称CHEMINF）编号cheminf_000085）进行表征：
InChI描述符（cheminf_000113）：InChI=1S/C19H16O4/c1-23-16-11-15(12-7-9-14(20)10-8-12)18(21)19(22)17(16)13-5-3-2-4-6-13/h2-11,20-22H,1H3；
标准SMILES描述符（cheminf_000007）：COc1cc(c2ccc(cc2)O)c(c(c1c1ccccc1)O)O；
IUPAC命名（cheminf_000107）：无相关标注。

该物理化学实体（CHEBI_24431）包含组分溶剂（CHEBI_46787），其可通过标准SMILES描述符（cheminf_000007）表征，具体信息未给出。

该物理化学实体（CHEBI_24431）已在研究数据仓储chemotion（网址：www.chemotion-repository.net，DOI：10.25504/FAIRsharing.iagXcR）中注册，样本编号为CRS-50760。

该物理化学实体（CHEBI_24431）可通过以下物理描述符（CHEMINF_000025）表征：
熔点描述符（CHEMINF_000256）：无相关数据；
沸点描述符（CHEMINF_000257）：无相关数据；
折射率描述符（CHEMINF_000253）：无相关数据。

该物理化学实体（CHEBI_24431）还可通过以下检测实验（生物调查本体（Ontology for Biomedical Investigations，简称OBI）编号OBI:0000070、化学方法本体（Chemical Methods Ontology，简称CHMO）编号CHMO:0001133）进行表征：
CHMO:0000593 | 1H核磁共振波谱法（1H NMR）
CHMO:0002541 | 高分辨电喷雾电离飞行时间质谱法（HR-ESI-TOF-MS）
CHMO:0000595 | 13C核磁共振波谱法（13C NMR）
CHMO:0001150 | 1H-1H相关光谱法（1H-1H COSY）
CHMO:0001146 | 1H-13C异核单量子相干谱（1H-13C HSQC）
CHMO:0001148 | 1H-13C异核多键相干谱（13C-1H HMBC）
CHMO:0001151 | 1H-1H核Overhauser增强光谱法（1H-1H NOESY）
CHMO:0000591 | 核磁共振波谱法（NMR）
CHMO:0000763 | 衰减全反射傅里叶变换红外光谱法（ATR-FTIR）

该物理化学实体（CHEBI_24431）已提交至卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology，简称KIT）分子档案库，对应样本编号未明确给出。

所用本体包括：
CHEBI：生物感兴趣化学实体本体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（chemical information ontology）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物调查本体（Ontology for Biomedical Investigations）