Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006023
PROPERTIES
NPAID | NPA006023 |
---|---|
CLUSTER ID | 863 |
NODE ID | 747 |
NAME | Melleolide Q |
FORMULA | C23H31ClO7 |
MOLECULAR WEIGHT (Da) | 454.9470 |
ACCURATE MASS (Da) | 454.1758 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Armillaria |
ORIGIN SPECIES | mellea |
InChIKey | DEMXZQWBLZZLIK-NROMFKPGSA-N |
InChI | InChI=1S/C23H31ClO7/c1-10-17(14(26)5-15(27)18(10)24)20(29)31-16-8-22(4)12-7-21(2,3)6-11(12)19(28)13(9-25)23(16,22)30/h5,11-13,16,19,25-28,30H,6-9H2,1-4H3/t11-,12+,13-,16-,19+,22-,23+/m1/s1 |
SMILES | CC1=C(C(=CC(=C1Cl)O)O)C(=O)O[C@@H]2C[C@]3([C@@]2([C@@H]([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Chen, Chien-Chih; Kuo, Yueh-Hsiung; Cheng, Jing-Jy; Sung, Ping-Jyun; Ni, Ching-Li; Chen, Chin-Chu; Shen, Chien-Chang Three new sesquiterpene aryl esters from the mycelium of armillaria mellea Molecules 2015 20 (6) 9994-10003. | ||
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DOI | 10.3390/molecules20069994 | PMID | 26035099 |