Dataset

Corosolic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307679 contains the MS2 mass spectrum of Corosolic acid with the InChIkey HFGSQOYIOKBQOW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)
SMILES CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
InChI Key HFGSQOYIOKBQOW-UHFFFAOYSA-N
Molecular Formula C30H48O4
Exact Mass 472.710 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307679
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD056592 ProbesDrugs
    60060359 NMRShiftDB
    15917996 PubChem
    HMDB0250454 Human Metabolome Database
    SCHEMBL13632111 SureChEMBL
    The data in this table is sourced from UniChem at EBI.