Dataset
STIGMASTEROL
Chemical Info
InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
---|---|
SMILES | CC(C4([H])C(C=CC([H])(CC)C(C)C)([H])C)(C([H])1CC4)CCC(C3(C)2)(C([H])(CC=C2CC([H])(O)CC3)1)[H] |
InChI Key | HCXVJBMSMIARIN-PHZDYDNGSA-N |
Molecular Formula | C29H48O |
Exact Mass | 412.371 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002749 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:35.899946 |
MetadataModified | 2024-01-11T15:56:36.075106 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL400247 | ChEMBL |
28824 | ChEBI |
56310573 | PubChem: Drugs of the Future |
C05442 | KEGG Ligand |
512178 | eMolecules |
ZINC000004096712 | ZINC |
69551 | Brenda |
CB4333449 | ChemicalBook |
28824 | Rhea |
MTBLC28824 | Metabolights |
HMDB0000937 | Human Metabolome Database |
2584 | Brenda |
50376364 | BindingDB |
LMST01040123 | LipidMaps |
STIGMASTEROL | rxnorm |
HY-N0131 | MedChemExpress |
J348.308H | Nikkaji |
SCHEMBL23999 | SureChEMBL |
MEYSEO | CCDC |
J4.635C | Nikkaji |
Stigmasterol(Stigmasterin) | Selleck |
16576215 | PubChem: Thomson Pharma |
5280794 | PubChem |
16015575 | PubChem: Thomson Pharma |
60018452 | NMRShiftDB |
PD017693 | ProbesDrugs |
99WUK5D0Y8 | FDA SRS |
The data in this table is sourced from UniChem at EBI. |