Dataset

Forskolin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00540 contains the MS2 mass spectrum of Forskolin with the InChIkey OHCQJHSOBUTRHG-KGGHGJDLSA-N.

Chemical Information

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-FIO00540
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02587 drugbank
    CHEBI:42471 chebi
    LMPR0104030004 lipidmaps
    FOK rcsb_pdb
    CHEMBL52606 chembl
    4928 surechembl
    47936 pubchem
    1F7A44V6OU fdasrs
    FOK pdbe
    PD007842 probes_and_drugs
    FRSKLN CCDC
    DTXSID8040484 comptox
    Molport-002-493-717 molport
    50010261 bindingdb
    The data in this table is sourced from UniChem at EBI.