Dataset

Scleroderolide

This MassBank record with Accession MSBNK-AAFC-AC000675 contains the MS2 mass spectrum of Scleroderolide with the InChIkey MYDJDVOVZVSVIE-ZETCQYMHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O6/c1-6-5-8(19)15-10-9(6)16-12(18(3,4)7(2)23-16)13(20)11(10)14(21)17(22)24-15/h5,7,19-20H,1-4H3/t7-/m0/s1
SMILES C[C@H]1C(C2=C(O1)C3=C4C(=C2O)C(=O)C(=O)OC4=C(C=C3C)O)(C)C
InChI Key MYDJDVOVZVSVIE-ZETCQYMHSA-N
Molecular Formula C18H16O6
Exact Mass 328.095 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-AC000675
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:31.768518
MetadataModified 2024-01-11T09:21:31.927923
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50893262 EPA CompTox Dashboard
13786694 PubChem
ZINC000014693083 ZINC
70012525 NMRShiftDB
J985.345F Nikkaji
The data in this table is sourced from UniChem at EBI.