Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002670
PROPERTIES
| NPAID | NPA002670 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Chrysospermin C |
| FORMULA | C91H142N22O23 |
| MOLECULAR WEIGHT (Da) | 1912.2680 |
| ACCURATE MASS (Da) | 1911.0618 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Apiocrea |
| ORIGIN SPECIES | chrysosperma |
| InChIKey | LUHAJQGZRAIJDS-UHFFFAOYSA-N |
| InChI | InChI=1S/C91H142N22O23/c1-24-91(23,112-80(134)88(17,18)107-72(126)61(47-115)103-75(129)83(7,8)106-71(125)60(98-51(6)116)42-52-31-26-25-27-32-52)81(135)102-59(41-48(2)3)70(124)100-57(36-38-63(92)117)68(122)95-45-65(119)104-86(13,14)77(131)109-84(9,10)74(128)97-49(4)66(120)96-50(5)67(121)105-90(21,22)82(136)113-40-30-35-62(113)73(127)108-87(15,16)78(132)111-89(19,20)79(133)110-85(11,12)76(130)101-58(37-39-64(93)118)69(123)99-54(46-114)43-53-44-94-56-34-29-28-33-55(53)56/h25-29,31-34,44,48-50,54,57-62,94,114-115H,24,30,35-43,45-47H2,1-23H3,(H2,92,117)(H2,93,118)(H,95,122)(H,96,120)(H,97,128)(H,98,116)(H,99,123)(H,100,124)(H,101,130)(H,102,135)(H,103,129)(H,104,119)(H,105,121)(H,106,125)(H,107,126)(H,108,127)(H,109,131)(H,110,133)(H,111,132)(H,112,134) |
| SMILES | CCC(C)(C(=O)NC(CC(C)C)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(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 |
