Dataset

Artocaprin

This MassBank record with Accession MSBNK-BS-BS003597 contains the MS mass spectrum of Artocaprin with the InChIkey KRGDFVQWQJIMEK-RMKNXTFCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+
SMILES C(C(C([H])([H])[H])(/C(=C(/C1=C(C(=C2C(=C1O[H])C(=O)C(=C(O2)C3=C(C(=C(C(=C3[H])[H])O[H])[H])O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])[H])OC([H])([H])[H])\[H])/[H])[H])([H])([H])[H]
InChI Key KRGDFVQWQJIMEK-RMKNXTFCSA-N
Molecular Formula C26H28O6
Exact Mass 436.189 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-BS-BS003597
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:38:22.181478
MetadataModified 2024-01-11T12:38:22.332204
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL374230 SureChEMBL
60029383 NMRShiftDB
65439 ChEBI
14905693 PubChem: Thomson Pharma
5458461 PubChem
143498 Brenda
CB71368489 ChemicalBook
HMDB0030849 Human Metabolome Database
MTBLC65439 Metabolights
J94.466A Nikkaji
LIBXUQ CCDC
ZINC000001763468 ZINC
CHEMBL72617 ChEMBL
The data in this table is sourced from UniChem at EBI.