Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008656
PROPERTIES
| NPAID | NPA008656 |
|---|---|
| CLUSTER ID | 543 |
| NODE ID | 485 |
| NAME | Not named |
| FORMULA | C28H24N2O9S2 |
| MOLECULAR WEIGHT (Da) | 596.6390 |
| ACCURATE MASS (Da) | 596.0923 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cladorrhinum |
| ORIGIN SPECIES | sp. KY4922 |
| InChIKey | QVZZDKDFWLWKPS-BZERRRCQSA-N |
| InChI | InChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1 |
| SMILES | CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@H]4N2C(=O)[C@@]1(CC6=CC(=C(C=C6)OC)OC7=C(C=CC(=C7)C(=O)O5)OC)SS3)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Onodera, Hideyuki; Hasegawa, Atsuhiro; Tsumagari, Noriko; Nakai, Ryuichiro; Ogawa, Tatsuhiro; Kanda, Yutaka MPC1001 and its analogues: new antitumor agents from the fungus Cladorrhinum species Organic Letters 2004 6 (22) 4101-4104. | ||
|---|---|---|---|
| DOI | 10.1021/ol048202d | PMID | 15496109 |
