Dataset

2,3-Trans-3,4-trans-Leucocyanidin

This MassBank record with Accession MSBNK-BS-BS003917 contains the MS2 mass spectrum of 2,3-Trans-3,4-trans-Leucocyanidin with the InChIkey SBZWTSHAFILOTE-QLFBSQMISA-N.

Chemical Info

molecular Image
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-/m1/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-QLFBSQMISA-N
Molecular Formula C15H14O7
Exact Mass 306.074 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-BS-BS003917
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:09.872593
MetadataModified 2024-01-11T12:33:10.022893
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL126393 ChEMBL
70129248 NMRShiftDB
69256-15-1 ACToR
16352792 PubChem: Thomson Pharma
155206 PubChem
J1.901.199B Nikkaji
125382 Brenda
112498 Brenda
56439 Brenda
31942 Brenda
DAWJOA CCDC
225806 Brenda
ZINC000003591028 ZINC
The data in this table is sourced from UniChem at EBI.