Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00004751270 | Gold | 3 |
CCMSLIB00005718933 | Gold | 3 |
COMPOUND NPA018625
PROPERTIES
NPAID | NPA018625 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Thamnolic acid |
FORMULA | C19H16O11 |
MOLECULAR WEIGHT (Da) | 420.3260 |
ACCURATE MASS (Da) | 420.0693 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Unknown-fungus |
ORIGIN SPECIES | sp. |
InChIKey | RNCJCRJLNVRWJX-UHFFFAOYSA-N |
InChI | InChI=1S/C19H16O11/c1-6-4-9(29-3)12(18(26)27)15(23)10(6)19(28)30-16-7(2)11(17(24)25)13(21)8(5-20)14(16)22/h4-5,21-23H,1-3H3,(H,24,25)(H,26,27) |
SMILES | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C(=O)O)O)C=O)O)O)C(=O)O)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Honorato, R.; Rojas, C.; Ivanovic, N. Sodium Oxalate as Anticoagulant Experimental Biology and Medicine 1948 68 (2) 300-301. | ||
---|---|---|---|
DOI | 10.3181/00379727-68-16463p | PMID | 18869326 |