RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0135179 | |
|---|---|---|
| RefMet name | Pelargonidin | |
| Systematic name | 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 271.060650 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C15H11O5 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 21383 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1 | |
| InChIKey | XVFMGWDSJLBXDZ-UHFFFAOYSA-O | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1cc(ccc1c1c(cc2c(cc(cc2[o+]1)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Flavonoids | |
| Sub Class | Anthocyanidins | |
| Distribution of Pelargonidin in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Pelargonidin | |
| External Links | ||
| Pubchem CID | 440832 | |
| LIPID MAPS | LMPK12010003 | |
| ChEBI ID | 25863 | |
| KEGG ID | C05904 | |
| HMDB ID | HMDB0003263 | |
| PhytoHub DB | PHUB000505 | |
| Spectral data for Pelargonidin standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
