Dataset

Forskolin

This MassBank record with Accession MSBNK-Fiocruz-FIO00542 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-FIO00542
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:41:26.460931
MetadataModified 2025-02-09T13:03:13.447268
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15080267 PubChem: Thomson Pharma
47936 PubChem
PD007842 ProbesDrugs
colforsin Atlas
forskolin Atlas
14855314 PubChem: Thomson Pharma
LSM-2193 LINCS
66575-29-9 ACToR
66428-89-5 ACToR
forskolin Selleck
1F7A44V6OU FDA SRS
30154577 eMolecules
513222 eMolecules
29549118 eMolecules
PA146096022 PharmGKB
ZINC000003977779 ZINC
CB0167677 ChemicalBook
MTBLC42471 Metabolights
SCHEMBL4928 SureChEMBL
20177307 NMRShiftDB
DB02587 DrugBank
12013584 PubChem: Drugs of the Future
CHEMBL52606 ChEMBL
FOK PDBe
42471 ChEBI
C09076 KEGG Ligand
COLFORSIN clinicaltrials
FORSKOLIN clinicaltrials
HY-15371 MedChemExpress
DTXSID8040484 EPA CompTox Dashboard
50010261 BindingDB
5190 Guide to Pharmacology
J22.273I Nikkaji
FRSKLN CCDC
LMPR0104030004 LipidMaps
The data in this table is sourced from UniChem at EBI.