Dataset
Rottlerin
Chemical Info
InChI | InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+ |
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SMILES | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)/C=C/C4=CC=CC=C4)OC(C=C3)(C)C)O)O |
InChI Key | DEZFNHCVIZBHBI-ZHACJKMWSA-N |
Molecular Formula | C30H28O8 |
Exact Mass | 516.178 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82108 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:14.700054 |
MetadataModified | 2024-01-11T22:28:14.893287 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
HY-18980 | MedChemExpress |
LSM-42845 | LINCS |
DTXSID30231502 | EPA CompTox Dashboard |
LMPK12120428 | LipidMaps |
ZINC000003874886 | ZINC |
CB4260488 | ChemicalBook |
4993 | Brenda |
MTBLC8899 | Metabolights |
5281847 | PubChem |
60015820 | NMRShiftDB |
PD014867 | ProbesDrugs |
14762702 | PubChem: Thomson Pharma |
E29LP3ZMUH | FDA SRS |
82-08-6 | ACToR |
SCHEMBL148175 | SureChEMBL |
rottlerin | Atlas |
J9.828K | Nikkaji |
2611 | Guide to Pharmacology |
J997.349D | Nikkaji |
8899 | ChEBI |
CHEMBL34241 | ChEMBL |
C10721 | KEGG Ligand |
594089 | eMolecules |
The data in this table is sourced from UniChem at EBI. |