Dataset

2,3-Trans-3,4-cis-Leucocyanidin

This MassBank record with Accession MSBNK-BS-BS003922 contains the MS2 mass spectrum of 2,3-Trans-3,4-cis-Leucocyanidin with the InChIkey SBZWTSHAFILOTE-SOUVJXGZSA-N.

Chemical Info

InChI	InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1
SMILES	C1=CC(=C(C=C1[C@@H]2[C@H]([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O
InChI Key	SBZWTSHAFILOTE-SOUVJXGZSA-N
Molecular Formula	C15H14O7
Exact Mass	306.074 g/mol

Data and Resources

2,3-Trans-3,4-cis-LeucocyanidinHTML
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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-BS003922
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:41:41.461687
MetadataModified	2024-01-11T12:41:41.613950
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL124022	ChEMBL
C05906	KEGG Ligand
11412	ChEBI
J862.804A	Nikkaji
DTXSID70331530	EPA CompTox Dashboard
LMPK12020203	LipidMaps
440833	PubChem
44365	Brenda
125383	Brenda
125317	Brenda
152481	Brenda
57092	Brenda
16826	Brenda
20194	Brenda
16453	Brenda
11412	Rhea
60027164	NMRShiftDB
93527-39-0	ACToR
SCHEMBL1649595	SureChEMBL
The data in this table is sourced from UniChem at EBI.