RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0118329 | |
---|---|---|
RefMet name | Phlorin | |
Systematic name | 5,22-dihydroporphyrin | |
Synonyms | PubChem Synonyms | |
Exact mass | 312.137496 (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 | C20H16N4 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 58298 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C20H16N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-11,21,23-24H,12H2/b13-9-,14-10- ,17-11- | |
InChIKey | IQDRAVRWQIIASA-VZPOTTSCSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | c1c/c/2=C/c3ccc(Cc4ccc(/C=C\5/C=CC(=N5)/C=c/1\[nH]2)[nH]4)[nH]3
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Organoheterocyclic compounds | |
Main Class | Porphyrins | |
Sub Class | Porphyrins | |
Distribution of Phlorin 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 Phlorin | |
External Links | ||
Pubchem CID | 20055371 | |
ChEBI ID | 52560 | |
HMDB ID | HMDB0035589 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |