Dataset
Loganin
Chemical Info
InChI | InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3 |
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SMILES | O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C3C2CC(O)C3(C) |
InChI Key | AMBQHHVBBHTQBF-UHFFFAOYSA-N |
Molecular Formula | C17H26O10 |
Exact Mass | 390.385 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-PR309196 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T19:47:06.136755 |
MetadataModified | 2025-02-09T18:26:03.293960 |
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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57573001 | PubChem: Thomson Pharma |
601562 | PubChem |
CB1702453 | ChemicalBook |
HMDB0247827 | Human Metabolome Database |
70128041 | NMRShiftDB |
PD056208 | ProbesDrugs |
The data in this table is sourced from UniChem at EBI. |