Dataset

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

This MassBank record with Accession MSBNK-BS-BS003921 contains the MS 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-BS003921
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:32:55.723820
MetadataModified	2024-01-11T12:32:55.876177
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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