5-(oxiran-2-ylmethoxy)-1H-indole

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/C11H11NO2/c1-2-11-8(3-4-12-11)5-9(1)13-6-10-7-14-10/h1-5,10,12H,6-7H2, and canonical SMILES descriptor[cheminf_000007]: c1[nH]c2c(c1)cc(cc2)OCC1CO1, and by the IUPAC name[cheminf_000107]: 5-(oxiran-2-ylmethoxy)-1H-indole.

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-31027

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

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

CHMO:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

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

此为与某分子（molecule，CHEBI_25367）相关联的物理化学实体（physical chemical entity，CHEBI_24431）。
该分子（CHEBI_25367）可通过以下结构描述符（structural descriptors，cheminf_000085）进行表征：
InChI描述符（InChI descriptor，cheminf_000113）：InChI=1S/C11H11NO2/c1-2-11-8(3-4-12-11)5-9(1)13-6-10-7-14-10/h1-5,10,12H,6-7H2；
标准SMILES描述符（canonical SMILES descriptor，cheminf_000007）：c1[nH]c2c(c1)cc(cc2)OCC1CO1；
IUPAC命名（IUPAC name，cheminf_000107）：5-(环氧乙烷-2-基甲氧基)-1H-吲哚。

该物理化学实体（CHEBI_24431）包含组分溶剂（component solvent，CHEBI_46787），其可通过标准SMILES描述符（cheminf_000007）表征：

该物理化学实体（CHEBI_24431）已在科研数据仓库（research data repository）chemotion（www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR）中注册，其样本编号为：CRS-31027。

该物理化学实体（CHEBI_24431）可通过以下物理描述符（physical descriptors，CHEMINF_000025）表征：
熔点描述符（Melting point descriptor，CHEMINF_000256）：
沸点描述符（Boiling point descriptor，CHEMINF_000257）：
折射率描述符（Refractive index descriptor，CHEMINF_000253）：

该物理化学实体（CHEBI_24431）还可通过以下检测分析（assays）进行表征，对应本体标注为[OBI:0000070][CHMO:0001133]：
CHMO:0000595 | 碳-13核磁共振波谱法（13C NMR）
CHMO:0000593 | 氢-1核磁共振波谱法（1H NMR）
CHMO:0000470 | 质谱法（MS）
CHMO:0000630 | 红外吸收光谱法（IR）

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，KIT）的分子档案库，其样本编号为：

所用本体：
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，针对化学实体的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物医学调查本体（Ontology for Biomedical Investigations）