Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017743
PROPERTIES
| NPAID | NPA017743 |
|---|---|
| CLUSTER ID | 2409 |
| NODE ID | 1896 |
| NAME | SCH 643432 |
| FORMULA | C98H172N24O24 |
| MOLECULAR WEIGHT (Da) | 2070.5980 |
| ACCURATE MASS (Da) | 2069.2976 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Paecilomyces |
| ORIGIN SPECIES | varioti |
| InChIKey | NSPWXTOKHADAHM-UHFFFAOYSA-N |
| InChI | InChI=1S/C98H172N24O24/c1-35-36-37-38-39-40-41-42-43-48-63(123)53(4)72(132)122-50-45-47-62(122)71(131)114-93(23,24)80(141)118-97(31,32)84(145)119-94(25,26)81(142)115-90(17,18)75(136)106-55(6)65(125)103-57(8)67(127)112-89(15,16)78(139)109-61(51-52(2)3)69(129)104-58(9)68(128)110-87(11,12)74(135)105-54(5)64(124)102-56(7)66(126)111-88(13,14)77(138)108-60(46-44-49-101-86(99)100)70(130)113-92(21,22)79(140)117-96(29,30)83(144)121-98(33,34)85(146)120-95(27,28)82(143)116-91(19,20)76(137)107-59(10)73(133)134/h52-62H,35-51H2,1-34H3,(H,102,124)(H,103,125)(H,104,129)(H,105,135)(H,106,136)(H,107,137)(H,108,138)(H,109,139)(H,110,128)(H,111,126)(H,112,127)(H,113,130)(H,114,131)(H,115,142)(H,116,143)(H,117,140)(H,118,141)(H,119,145)(H,120,146)(H,121,144)(H,133,134)(H4,99,100,101) |
| SMILES | CCCCCCCCCCCC(=O)C(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | HEGDE, VINOD R.; SILVER, JACK; PATEL, MAHESH; GULLO, VINCENT P.; PUAR, MOHINDAR S.; DAS, PRADIP R.; LOEBENBERG, DAVID Novel Fungal Metabolites as Cell Wall Active Antifungals: Fermentation, Isolation, Physico-chemical Properties, Structure and Biological Activity Journal of Antibiotics 2003 56 (5) 437-447. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.56.437 | PMID | 12870808 |
