Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012244
PROPERTIES
NPAID | NPA012244 |
---|---|
CLUSTER ID | 22 |
NODE ID | 21 |
NAME | Ustilaginoidin A |
FORMULA | C28H18O10 |
MOLECULAR WEIGHT (Da) | 514.4420 |
ACCURATE MASS (Da) | 514.0900 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Ustilaginoidea |
ORIGIN SPECIES | virens |
InChIKey | JBUCAUPBQQHNRS-UHFFFAOYSA-N |
InChI | InChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,29-30,33-36H,1-2H3 |
SMILES | CC1=CC(=C2C(=CC3=C(C(=O)C=C(C3=C2O)O)C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O1)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Shibata, Shoji; Ogihara, Yukio; Ohta, Akihiro Metabolic Products of Fungi. XXII. On Ustilaginoidins.(2). The Structure of Ustilaginoidin A Chemical and Pharmaceutical Bulletin 1963 11 (9) 1179-1182. | ||
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DOI | 10.1248/cpb.11.1179 | PMID | 14068738 |