Dataset
2,3-Trans-3,4-trans-Leucocyanidin
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-/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 |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003920 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:53.391437 |
MetadataModified | 2024-01-11T12:34:53.550704 |
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. |