Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014341
PROPERTIES
NPAID | NPA014341 |
---|---|
CLUSTER ID | 923 |
NODE ID | 798 |
NAME | Sclerotiotide E |
FORMULA | C23H36N4O4 |
MOLECULAR WEIGHT (Da) | 432.5650 |
ACCURATE MASS (Da) | 432.2737 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | sclerotiorum PT06-1 |
InChIKey | JBIZFCHJQXSVKL-SOCMEVESSA-N |
InChI | InChI=1S/C23H36N4O4/c1-7-8-9-10-11-14-19(28)25-18-13-12-15-24-21(29)17(4)26(5)23(31)20(16(2)3)27(6)22(18)30/h7-11,14,16-18,20H,12-13,15H2,1-6H3,(H,24,29)(H,25,28)/b8-7-,10-9+,14-11+/t17-,18-,20-/m0/s1 |
SMILES | C/C=C\C=C\C=C\C(=O)N[C@H]1CCCNC(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)C(C)C)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Zheng, Jinkai; Xu, Zhihong; Wang, Yi; Hong, Kui; Liu, Peipei; Zhu, Weiming Cyclic tripeptides from the halotolerant fungus Aspergillus sclerotiorum PT06-1 Journal of Natural Products 2010 73 (6) 1133-1137. | ||
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DOI | 10.1021/np100198h | PMID | 20503985 |