Dataset

Enoxolone; LC-ESI-Q; MS; POS; 15 V, 45 V

This MassBank record with Accession MSBNK-Waters-WA001654 contains the MS mass spectrum of Enoxolone with the InChIkey MPDGHEJMBKOTSU-YKLVYJNSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILES C(C1(C)C(O)=O)C(C=52)([H])C(CCC2(C(C3([H])C(=O)C5)(C)CCC(C(C)(C)4)([H])C(C)3CCC(O)4)C)(C)CC1
InChI Key MPDGHEJMBKOTSU-YKLVYJNSSA-N
Molecular Formula C30H46O4
Exact Mass 470.340 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-Waters-WA001654
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13089 drugbank
    CHEBI:30853 chebi
    LMPR0106150014 lipidmaps
    CBW rcsb_pdb
    CHEMBL230006 chembl
    18540 surechembl
    10114 pubchem
    P540XA09DR fdasrs
    PD014316 probes_and_drugs
    FULJIG CCDC
    11971 brenda
    1975 brenda
    20746 brenda
    48866 brenda
    74601 brenda
    1281201 bindingdb
    1281202 bindingdb
    50075611 bindingdb
    50075786 bindingdb
    50076901 bindingdb
    50076989 bindingdb
    50104860 bindingdb
    50104899 bindingdb
    50214892 bindingdb
    50327770 bindingdb
    50327776 bindingdb
    50327782 bindingdb
    50425110 bindingdb
    50425111 bindingdb
    50428452 bindingdb
    50428453 bindingdb
    50478968 bindingdb
    50479123 bindingdb
    50554252 bindingdb
    50554253 bindingdb
    50604807 bindingdb
    50604816 bindingdb
    50614958 bindingdb
    50614963 bindingdb
    50614967 bindingdb
    50614971 bindingdb
    50629721 bindingdb
    50629733 bindingdb
    50629745 bindingdb
    50629746 bindingdb
    50664217 bindingdb
    50840874 bindingdb
    50852813 bindingdb
    50855308 bindingdb
    50855313 bindingdb
    50888230 bindingdb
    50888240 bindingdb
    50888247 bindingdb
    50961946 bindingdb
    50961952 bindingdb
    51069757 bindingdb
    51069792 bindingdb
    51069794 bindingdb
    51292897 bindingdb
    51299857 bindingdb
    51299876 bindingdb
    51308746 bindingdb
    51308778 bindingdb
    51308804 bindingdb
    51308836 bindingdb
    51308841 bindingdb
    51308848 bindingdb
    51323934 bindingdb
    51323938 bindingdb
    51336633 bindingdb
    51336736 bindingdb
    51471144 bindingdb
    51519961 bindingdb
    Molport-002-507-130 molport
    3178 drugcentral
    The data in this table is sourced from UniChem at EBI.