Dataset

Isohernandezine

This MassBank record with Accession MSBNK-RIKEN-PR301180 contains the MS2 mass spectrum of Isohernandezine with the InChIkey FUZMQNZACIFDBL-IHLOFXLRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30+/m1/s1
SMILES COC1=C2OC3=CC=C(C[C@H]4N(C)CCC5=CC(OC)=C(OC6=C(OC)C(OC)=C(OC)C7=C6[C@H](CC(C=C1)=C2)N(C)CC7)C=C45)C=C3
InChI Key FUZMQNZACIFDBL-IHLOFXLRSA-N
Molecular Formula C39H44N2O7
Exact Mass 652.788 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-PR301180
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:51.162393
MetadataModified 2024-01-11T20:39:51.317048
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000079183281 ZINC
70110391 NMRShiftDB
MCULE-7908703437 Mcule
7098682 PubChem
The data in this table is sourced from UniChem at EBI.