Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001310
PROPERTIES
| NPAID | NPA001310 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Hypomurocin B-3a |
| FORMULA | C79H138N20O21 |
| MOLECULAR WEIGHT (Da) | 1704.0920 |
| ACCURATE MASS (Da) | 1703.0345 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hypocrea |
| ORIGIN SPECIES | muroiana |
| InChIKey | VLNMXJHADNGRFF-UHFFFAOYSA-N |
| InChI | InChI=1S/C79H138N20O21/c1-39(2)35-48(85-57(106)43(9)83-56(105)44(10)84-65(114)73(14,15)91-45(11)101)60(109)94-74(16,17)66(115)89-47(31-33-53(81)103)59(108)93-75(18,19)68(117)90-55(42(7)8)63(112)96-72(12,13)64(113)82-37-54(104)92-77(22,23)69(118)98-79(26,27)71(120)99-34-28-29-51(99)62(111)86-49(36-40(3)4)61(110)95-78(24,25)70(119)97-76(20,21)67(116)88-46(30-32-52(80)102)58(107)87-50(38-100)41(5)6/h39-44,46-51,55,100H,28-38H2,1-27H3,(H2,80,102)(H2,81,103)(H,82,113)(H,83,105)(H,84,114)(H,85,106)(H,86,111)(H,87,107)(H,88,116)(H,89,115)(H,90,117)(H,91,101)(H,92,104)(H,93,108)(H,94,109)(H,95,110)(H,96,112)(H,97,119)(H,98,118) |
| SMILES | CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)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)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Becker, Dieter; Kiess, Michael; Brückner, Hans Structures of Peptaibol Antibiotics Hypomurocin A and B from the Ascomycetous Fungus Hypocrea muroiana hino et katsumoto Liebigs Annalen der Chemie 1997 1997 (4) 767-772. | ||
|---|---|---|---|
| DOI | 10.1002/jlac.199719970421 | PMID | - |
