Dataset

(-)-Podophyllotoxin

This MassBank record with Accession MSBNK-RIKEN-PR307935 contains the MS2 mass spectrum of (-)-Podophyllotoxin with the InChIkey YJGVMLPVUAXIQN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3
SMILES COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(O)C2=CC3=C(OCO3)C=C12
InChI Key YJGVMLPVUAXIQN-UHFFFAOYSA-N
Molecular Formula C22H22O8
Exact Mass 414.410 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-PR307935
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:26:53.014549
MetadataModified 2025-02-09T18:27:05.867560
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7709153867 Mcule
SCHEMBL159599 SureChEMBL
730698 eMolecules
26731518 eMolecules
4354-76-1 ACToR
PD055368 ProbesDrugs
4865 PubChem
60031445 NMRShiftDB
SIHYAJ CCDC
HMDB0246672 Human Metabolome Database
LSM-36850 LINCS
125371 ChEBI
J342.333F Nikkaji
CB3147809 ChemicalBook
CHEMBL310129 ChEMBL
The data in this table is sourced from UniChem at EBI.