Dataset

Anthranoyllycoctonine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310646 contains the MS2 mass spectrum of Anthranoyllycoctonine with the InChIkey NNDHDYDFEDRMGH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3
SMILES CCN1CC2(COC(=O)C3=C(N)C=CC=C3)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14
InChI Key NNDHDYDFEDRMGH-UHFFFAOYSA-N
Molecular Formula C32H46N2O8
Exact Mass 586.726 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-PR310646
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-aminobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:182381 chebi
    CHEMBL1499239 chembl
    3800367 pubchem
    PD202693 probes_and_drugs
    HMDB0248466 hmdb
    The data in this table is sourced from UniChem at EBI.