RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0009829 | |
---|---|---|
RefMet name | Dehydrorabelomycin | |
Systematic name | 1,6,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione | |
Synonyms | PubChem Synonyms | |
Exact mass | 320.068473 (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 | C19H12O5 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 54403 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-7,20-22H,1H3 | |
InChIKey | PQVIKROZFPIERS-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | Cc1cc2cc(c3c(c2c(c1)O)C(=O)c1cccc(c1C3=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Polyketides | |
Main Class | Angucyclines | |
Sub Class | Angucyclines | |
Distribution of Dehydrorabelomycin in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Studies | NMDR Studies reporting Dehydrorabelomycin | |
External Links | ||
Pubchem CID | 443801 | |
ChEBI ID | 31461 | |
KEGG ID | C12390 | |
MetaCyc ID | CPD-12952 | |
NPAtlas DB | NP020329 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |