Dataset
Hematoxylin
Chemical Info
InChI | InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2 |
---|---|
SMILES | C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O |
InChI Key | WZUVPPKBWHMQCE-UHFFFAOYSA-N |
Molecular Formula | C16H14O6 |
Exact Mass | 302.079 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81376 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:34.953018 |
MetadataModified | 2024-01-11T22:27:35.125750 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1479103 | ChEMBL |
51686 | ChEBI |
729725 | eMolecules |
J3.539.689F | Nikkaji |
MTBLC51686 | Metabolights |
CB1382426 | ChemicalBook |
114395 | BindingDB |
10603 | PubChem |
60029155 | NMRShiftDB |
PD002243 | ProbesDrugs |
163550094 | PubChem: Thomson Pharma |
1412-19-7 | ACToR |
17647-60-8 | ACToR |
SCHEMBL1784957 | SureChEMBL |
517-28-2 | ACToR |
HMDB0242211 | Human Metabolome Database |
MCULE-9951584865 | Mcule |
The data in this table is sourced from UniChem at EBI. |