Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007828
PROPERTIES
| NPAID | NPA007828 |
|---|---|
| CLUSTER ID | 1830 |
| NODE ID | 1480 |
| NAME | Not named |
| FORMULA | C28H22N2O9S |
| MOLECULAR WEIGHT (Da) | 562.5560 |
| ACCURATE MASS (Da) | 562.1046 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cladorrhinum |
| ORIGIN SPECIES | sp. KY4922 |
| InChIKey | MGHHPGUZWMPXCS-URXFXBBRSA-N |
| InChI | InChI=1S/C28H22N2O9S/c1-29-25(32)18-11-17-14-37-9-8-21(24(17)30(18)26(33)27(29)40)39-28(34)16-5-7-20(36-3)23(12-16)38-22-10-15(13-31)4-6-19(22)35-2/h4-14,21,24H,1-3H3/t21-,24-/m0/s1 |
| SMILES | CN1C(=O)C2=CC3=COC=C[C@@H]([C@H]3N2C(=O)C1=S)OC(=O)C4=CC(=C(C=C4)OC)OC5=C(C=CC(=C5)C=O)OC |
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 |
