Dataset

Sterigmatocystin

This MassBank record with Accession MSBNK-AAFC-AC000224 contains the MS2 mass spectrum of Sterigmatocystin with the InChIkey UTSVPXMQSFGQTM-DCXZOGHSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1
SMILES COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
InChI Key UTSVPXMQSFGQTM-DCXZOGHSSA-N
Molecular Formula C18H12O6
Exact Mass 324.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000224
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:45.903184
MetadataModified 2024-01-11T09:21:46.064670
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC18227 Metabolights
18227 Rhea
5649 Brenda
HY-N6725 MedChemExpress
ZINC000005732865 ZINC
LMPK10000001 LipidMaps
MCULE-8752748947 Mcule
J9.276B Nikkaji
STERIH CCDC
5F95211S5Z FDA SRS
SCHEMBL620489 SureChEMBL
60063510 NMRShiftDB
PD011851 ProbesDrugs
5280389 PubChem
CHEMBL524291 ChEMBL
18227 ChEBI
C00961 KEGG Ligand
713394 eMolecules
The data in this table is sourced from UniChem at EBI.