Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012181
PROPERTIES
NPAID | NPA012181 |
---|---|
CLUSTER ID | 4610 |
NODE ID | 3362 |
NAME | Pulcherriminic acid |
FORMULA | C12H20N2O4 |
MOLECULAR WEIGHT (Da) | 256.3020 |
ACCURATE MASS (Da) | 256.1423 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Candida |
ORIGIN SPECIES | pulcherrima |
InChIKey | WXWWNANFOZVVLD-UHFFFAOYSA-N |
InChI | InChI=1S/C12H20N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15-16H,5-6H2,1-4H3 |
SMILES | CC(C)CC1=C(O)N(=O)=C(CC(C)C)C(O)=N1=O |
ORIGINAL ISOLATION REFERENCE
CITATION | MacDonald, JC The structure of pulcherriminic acid Canadian Journal of Chemistry 1963 41 (1) 165-172. | ||
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DOI | 10.1139/v63-021 | PMID | - |