Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000439
PROPERTIES
NPAID | NPA000439 |
---|---|
CLUSTER ID | 343 |
NODE ID | 20 |
NAME | Daldinone B |
FORMULA | C20H12O6 |
MOLECULAR WEIGHT (Da) | 348.3100 |
ACCURATE MASS (Da) | 348.0634 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Daldinia |
ORIGIN SPECIES | concentrica |
InChIKey | XSPAHHKREJIGIX-SXLOBPIMSA-N |
InChI | InChI=1S/C20H12O6/c21-9-3-1-6-8-5-11(23)15-16(19-20(26-19)18(25)17(15)24)13(8)7-2-4-10(22)14(9)12(6)7/h1-5,17,19-24H/t17-,19+,20-/m0/s1 |
SMILES | C1=CC(=C2C(=CC=C3C2=C1C4=CC(=C5[C@@H](C(=O)[C@H]6[C@@H](C5=C34)O6)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Quang, Dang Ngoc; Hashimoto, Toshihiro; Tanaka, Masami; Baumgartner, Manuela; Stadler, Marc; Asakawa, Yoshinori Chemical Constituents of the Ascomycete Daldinia concentrica Journal of Natural Products 2002 65 (12) 1869-1874. | ||
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DOI | 10.1021/np020301h | PMID | 12502330 |