Dataset
Flavone base + 3O, C-Pen-Hex
Chemical Info
InChI | InChI=1S/C26H28O14/c27-7-16-20(33)22(35)23(36)26(39-16)40-25-19(32)13(31)8-37-24(25)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2 |
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SMILES | O=C1C=C(OC=2C=C(O)C(=C(O)C1=2)C4OCC(O)C(O)C4(OC3OC(CO)C(O)C(O)C3(O)))C5=CC=C(O)C=C5 |
InChI Key | LOCBOCXGFMHGIJ-UHFFFAOYSA-N |
Molecular Formula | C26H28O14 |
Exact Mass | 564.496 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-RIKEN-PR309290 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T20:13:16.575689 |
MetadataModified | 2025-02-09T18:38:02.968336 |
MetadataPublished | 2019-03-28 |
Related Molecule |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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74977452 | PubChem |
The data in this table is sourced from UniChem at EBI. |