Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA013781
PROPERTIES
NPAID | NPA013781 |
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CLUSTER ID | 5005 |
NODE ID | 3589 |
NAME | Laetirobin |
FORMULA | C44H32O12 |
MOLECULAR WEIGHT (Da) | 752.7280 |
ACCURATE MASS (Da) | 752.1894 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Laetiporus |
ORIGIN SPECIES | sulphureus |
InChIKey | SGSHORQVHJQLLG-UHFFFAOYSA-N |
InChI | InChI=1S/C44H32O12/c1-18(45)26-7-22-10-38(53-35(22)14-31(26)49)25-5-6-44(40-11-23-8-27(19(2)46)32(50)15-36(23)54-40,41-12-24-9-28(20(3)47)33(51)16-37(24)55-41)42-30-13-29(21(4)48)34(52)17-39(30)56-43(25)42/h7-17,42,49-52H,5-6H2,1-4H3 |
SMILES | CC(=O)C1=CC2=C(C=C1O)OC3=C(CCC(C23)(C4=CC5=CC(=C(C=C5O4)O)C(=O)C)C6=CC7=CC(=C(C=C7O6)O)C(=O)C)C8=CC9=CC(=C(C=C9O8)O)C(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Lear, Martin J.; Simon, Oliver; Foley, Timothy L.; Burkart, Michael D.; Baiga, Thomas J.; Noel, Joseph P.; DiPasquale, Antonio G.; Rheingold, Arnold L.; La Clair, James J. Laetirobin from the parasitic growth of Laetiporus sulphureus on Robinia pseudoacacia Journal of Natural Products 2009 72 (11) 1980-1987. | ||
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DOI | 10.1021/np9002838 | PMID | 19842686 |
SYNTHESES
CITATION 1 | Simon O; Reux B; La Clair JJ; Lear MJ Total synthesis confirms laetirobin as a formal Diels-Alder adduct. Chemistry – An Asian Journal 2010 5 (2) 342-351. DOI: 10.1002/asia.200900306 PMID: 20033979 |
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