RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0108772 | |
|---|---|---|
| RefMet name | Camptothecin | |
| Systematic name | (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 348.111008 (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 | C20H16N2O4 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 51406 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20 -/m0/s1 | |
| InChIKey | VSJKWCGYPAHWDS-FQEVSTJZSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CC[C@@]1(c2cc3c4c(cc5ccccc5n4)Cn3c(=O)c2COC1=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Alkaloids | |
| Main Class | Tryptophan alkaloids | |
| Sub Class | Pyrroloquinoline alkaloids | |
| Distribution of Camptothecin 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 Camptothecin | |
| External Links | ||
| Pubchem CID | 24360 | |
| ChEBI ID | 27656 | |
| KEGG ID | C01897 | |
| MetaCyc ID | CPD-11776 | |
| EPA CompTox | DTXCID70206219 | |
| NPAtlas DB | NP018135 | |
| Spectral data for Camptothecin standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
