Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000971
PROPERTIES
| NPAID | NPA000971 |
|---|---|
| CLUSTER ID | 681 |
| NODE ID | 141 |
| NAME | KB425796-A |
| FORMULA | C79H115N19O18 |
| MOLECULAR WEIGHT (Da) | 1618.9040 |
| ACCURATE MASS (Da) | 1617.8667 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paenibacillus |
| ORIGIN SPECIES | sp. 530603 |
| InChIKey | JHVZOPAAIYXZCE-LGJLPRRQSA-N |
| InChI | InChI=1S/C79H115N19O18/c1-44(2)19-12-10-8-7-9-11-13-20-51-35-63(100)90-56(23-16-28-80)72(108)94-60(33-49-39-82-43-89-49)74(110)97-69(46(5)6)77(113)98-30-18-25-62(98)75(111)88-41-64(101)91-57(24-17-29-83-79(81)115)73(109)93-59(32-48-38-85-55-27-26-50(99)34-53(48)55)71(107)86-40-65(102)92-58(31-47-37-84-54-22-15-14-21-52(47)54)70(106)87-42-66(103)96-68(45(3)4)76(112)95-61(36-67(104)105)78(114)116-51/h14-15,21-22,26-27,34,37-39,43-46,51,56-62,68-69,84-85,99H,7-13,16-20,23-25,28-33,35-36,40-42,80H2,1-6H3,(H,82,89)(H,86,107)(H,87,106)(H,88,111)(H,90,100)(H,91,101)(H,92,102)(H,93,109)(H,94,108)(H,95,112)(H,96,103)(H,97,110)(H,104,105)(H3,81,83,115)/t51?,56-,57-,58-,59-,60-,61-,62-,68-,69-/m0/s1 |
| SMILES | CC(C)CCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC(=O)O)C(C)C)CC3=CNC4=CC=CC=C43)CC5=CNC6=C5C=C(C=C6)O)CCCNC(=O)N)C(C)C)CC7=CN=CN7)CCCN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kai, Hirohito; Yamashita, Midori; Takase, Shigehiro; Hashimoto, Michizane; Muramatsu, Hideyuki; Nakamura, Ikuko; Yoshikawa, Koji; Ezaki, Masami; Nitta, Kumiko; Watanabe, Masato; Inamura, Noriaki; Fujie, Akihiko KB425796-A, a novel antifungal antibiotic produced by Paenibacillus sp. 530603 Journal of Antibiotics 2013 66 (8) 465-471. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2013.63 | PMID | 23778117 |
