Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004480
PROPERTIES
| NPAID | NPA004480 |
|---|---|
| CLUSTER ID | 2330 |
| NODE ID | 1846 |
| NAME | Chlorofusin |
| FORMULA | C64H101ClN12O18 |
| MOLECULAR WEIGHT (Da) | 1362.0310 |
| ACCURATE MASS (Da) | 1360.7045 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. |
| InChIKey | HHLIMHXPMUQTPB-PKBNRHLRSA-N |
| InChI | InChI=1S/C64H101ClN12O18/c1-12-14-15-16-17-18-22-39-55(86)69-40(23-19-25-77-31-38-48(34(7)64(77)24-20-26-94-64)49(65)53(84)63(11,52(38)83)95-47(82)21-13-2)56(87)75-50(36(9)78)61(92)68-35(8)54(85)71-43(29-45(66)80)58(89)73-44(30-46(67)81)59(90)72-42(28-33(5)6)60(91)76-51(37(10)79)62(93)74-41(27-32(3)4)57(88)70-39/h31-37,39-44,50-51,78-79H,12-30H2,1-11H3,(H2,66,80)(H2,67,81)(H,68,92)(H,69,86)(H,70,88)(H,71,85)(H,72,90)(H,73,89)(H,74,93)(H,75,87)(H,76,91)/t34-,35-,36+,37+,39+,40+,41+,42+,43?,44?,50-,51-,63-,64-/m0/s1 |
| SMILES | CCCCCCCC[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)[C@@H](C)O)CC(C)C)CC(=O)N)CC(=O)N)C)[C@@H](C)O)CCCN2C=C3C(=C(C(=O)[C@@](C3=O)(C)OC(=O)CCC)Cl)[C@@H]([C@@]24CCCO4)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Duncan, Sara J.; Grüschow, Sabine; Williams, Dudley H.; McNicholas, Carole; Purewal, Ravinder; Hajek, Michaela; Gerlitz, Martin; Martin, Steven; Wrigley, Stephen K.; Moore, Michael Isolation and Structure Elucidation of Chlorofusin, a Novel p53-MDM2 Antagonist from aFusariumsp Journal of the American Chemical Society 2001 123 (4) 554-560. | ||
|---|---|---|---|
| DOI | 10.1021/ja002940p | PMID | 11456567 |
