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
J1.901.199B Nikkaji
DAWJOA CCDC
225806 Brenda
ZINC000003591028 ZINC
155206 PubChem
70129248 NMRShiftDB
69256-15-1 ACToR
16352792 PubChem: Thomson Pharma
125382 Brenda
56439 Brenda
112498 Brenda
31942 Brenda
The data in this table is sourced from UniChem at EBI.