Dataset

Podocarpic acid; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81985 contains the MS mass spectrum of Podocarpic acid with the InChIkey VJILEYKNALCDDV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)
SMILES CC12CCCC(C1CCC3=C2C=C(C=C3)O)(C)C(=O)O
InChI Key VJILEYKNALCDDV-UHFFFAOYSA-N
Molecular Formula C17H22O3
Exact Mass 274.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81985
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60032950 NMRShiftDB
    PD100221 ProbesDrugs
    CHEMBL2220581 ChEMBL
    5947-49-9 ACToR
    220357 PubChem
    MCULE-8369774775 Mcule
    The data in this table is sourced from UniChem at EBI.