Dataset

Forskolin

This MassBank record with Accession MSBNK-Fiocruz-FIO00541 contains the MS2 mass spectrum of Forskolin with the InChIkey OHCQJHSOBUTRHG-KGGHGJDLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
SMILES CC(=O)O[C@@H]([C@@H](O)1)[C@@](C)(O3)[C@](O)(C(=O)C[C@](C)(C=C)3)[C@@](C)([C@@H](O)2)[C@]([H])(C(C)(C)CC2)1
InChI Key OHCQJHSOBUTRHG-KGGHGJDLSA-N
Molecular Formula C22H34O7
Exact Mass 410.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00541
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:41:51.749101
MetadataModified 2024-01-11T16:41:51.964591
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15080267 PubChem: Thomson Pharma
47936 PubChem
PD007842 ProbesDrugs
forskolin Atlas
colforsin Atlas
14855314 PubChem: Thomson Pharma
LSM-2193 LINCS
66575-29-9 ACToR
66428-89-5 ACToR
forskolin Selleck
1F7A44V6OU FDA SRS
FRSKLN CCDC
5190 Guide to Pharmacology
20177307 NMRShiftDB
SCHEMBL4928 SureChEMBL
J22.273I Nikkaji
50010261 BindingDB
COLFORSIN clinicaltrials
FORSKOLIN clinicaltrials
ZINC000003977779 ZINC
DTXSID8040484 EPA CompTox Dashboard
LMPR0104030004 LipidMaps
HY-15371 MedChemExpress
CB0167677 ChemicalBook
MTBLC42471 Metabolights
PA146096022 PharmGKB
DB02587 DrugBank
12013584 PubChem: Drugs of the Future
CHEMBL52606 ChEMBL
FOK PDBe
42471 ChEBI
C09076 KEGG Ligand
30154577 eMolecules
513222 eMolecules
29549118 eMolecules
The data in this table is sourced from UniChem at EBI.