Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014308
PROPERTIES
NPAID | NPA014308 |
---|---|
CLUSTER ID | 17 |
NODE ID | 17 |
NAME | Lolitrem F |
FORMULA | C42H55NO7 |
MOLECULAR WEIGHT (Da) | 685.9020 |
ACCURATE MASS (Da) | 685.3979 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Neotyphodium |
ORIGIN SPECIES | perenne |
InChIKey | HGBZMCXKHKZYBF-RMEULMKZSA-N |
InChI | InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25-,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1 |
SMILES | CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8C[C@H]3[C@@H](C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Munday-Finch, Sarah C; Wilkins, Alistair L; Miles, Christopher O Isolation of lolicine A, lolicine B, lolitriol, and lolitrem N from Lolium perenne infected with Neotyphodium lolii and evidence for the natural occurrence of 31-epilolitrem N and 31-epilolitrem F Journal of Agricultural and Food Chemistry 1998 46 (2) 590-598. | ||
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DOI | 10.1021/jf9706787 | PMID | 10554283 |