Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005855
PROPERTIES
| NPAID | NPA005855 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Neoatroviridin B |
| FORMULA | C82H144N20O21 |
| MOLECULAR WEIGHT (Da) | 1746.1730 |
| ACCURATE MASS (Da) | 1745.0815 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | atroviride |
| InChIKey | KHLMTTNTKUDZDO-UHFFFAOYSA-N |
| InChI | InChI=1S/C82H144N20O21/c1-27-81(25,99-65(114)53(38-45(7)8)89-60(109)47(11)87-58(107)40-85-67(116)75(13,14)94-48(12)104)72(121)92-51(32-34-57(84)106)62(111)96-77(17,18)69(118)93-54(39-46(9)10)64(113)97-76(15,16)68(117)86-41-59(108)95-82(26,28-2)73(122)101-80(23,24)74(123)102-35-29-30-55(102)66(115)90-52(37-44(5)6)63(112)98-79(21,22)71(120)100-78(19,20)70(119)91-50(31-33-56(83)105)61(110)88-49(42-103)36-43(3)4/h43-47,49-55,103H,27-42H2,1-26H3,(H2,83,105)(H2,84,106)(H,85,116)(H,86,117)(H,87,107)(H,88,110)(H,89,109)(H,90,115)(H,91,119)(H,92,121)(H,93,118)(H,94,104)(H,95,108)(H,96,111)(H,97,113)(H,98,112)(H,99,114)(H,100,120)(H,101,122) |
| SMILES | CCC(C)(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(C)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | OH, SEUNG-UK; YUN, BONG-SIK; LEE, SANG-JUN; KIM, JUNG-HAN; YOO, ICK-DONG Atroviridins A-C and Neoatroviridins A-D, Novel Peptaibol Antibiotics Produced by Trichoderma atroviride F80317. I. Taxonomy, Fermentation, Isolation and Biological Activities Journal of Antibiotics 2002 55 (6) 557-564. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.55.557 | PMID | 12195961 |
