Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002300
PROPERTIES
| NPAID | NPA002300 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Chrysospermin A |
| FORMULA | C90H140N22O23 |
| MOLECULAR WEIGHT (Da) | 1898.2410 |
| ACCURATE MASS (Da) | 1897.0462 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Apiocrea |
| ORIGIN SPECIES | chrysosperma |
| InChIKey | GIZISGRBTRFGIJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C90H140N22O23/c1-47(2)40-58(101-76(130)85(12,13)109-78(132)87(16,17)106-71(125)60(46-114)102-74(128)82(6,7)105-70(124)59(97-50(5)115)41-51-30-25-24-26-31-51)69(123)99-56(35-37-62(91)116)67(121)94-44-64(118)103-86(14,15)77(131)108-83(8,9)73(127)96-48(3)65(119)95-49(4)66(120)104-90(22,23)81(135)112-39-29-34-61(112)72(126)107-88(18,19)79(133)111-89(20,21)80(134)110-84(10,11)75(129)100-57(36-38-63(92)117)68(122)98-53(45-113)42-52-43-93-55-33-28-27-32-54(52)55/h24-28,30-33,43,47-49,53,56-61,93,113-114H,29,34-42,44-46H2,1-23H3,(H2,91,116)(H2,92,117)(H,94,121)(H,95,119)(H,96,127)(H,97,115)(H,98,122)(H,99,123)(H,100,129)(H,101,130)(H,102,128)(H,103,118)(H,104,120)(H,105,124)(H,106,125)(H,107,126)(H,108,131)(H,109,132)(H,110,134)(H,111,133) |
| SMILES | CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CNC3=CC=CC=C32)CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | DORNBERGER, KLAUSJÜRGEN; IHN, WOLFGANG; RITZAU, MICHAEL; GRÄFE, UDO; SCHLEGEL, BRIGITTE; FLECK, WERNER F.; METZGER, JÖRG W. Chrysospermins, New Peptaibol Antibiotics from Apiocrea chrysosperma Ap101 Journal of Antibiotics 1995 48 (9) 977-989. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.977 | PMID | 7592066 |
