Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013496
PROPERTIES
| NPAID | NPA013496 |
|---|---|
| CLUSTER ID | 84 |
| NODE ID | 79 |
| NAME | Emethallicin B |
| FORMULA | C34H28N2O8S4 |
| MOLECULAR WEIGHT (Da) | 720.8720 |
| ACCURATE MASS (Da) | 720.0728 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | heterothallica |
| InChIKey | DWIZDFTWKPAWJV-TYQBLOPUSA-N |
| InChI | InChI=1S/C34H28N2O8S4/c37-26(16-20-8-3-1-4-9-20)43-24-13-7-12-22-17-33-31(40)36-28-23(18-34(36,46-48-47-45-33)32(41)35(33)27(22)24)19-42-15-14-25(28)44-30(39)29(38)21-10-5-2-6-11-21/h1-15,19,24-25,27-29,38H,16-18H2/t24-,25-,27-,28-,29+,33+,34+/m0/s1 |
| SMILES | C1C2=CC=C[C@@H]([C@H]2N3[C@]14C(=O)N5[C@@H]6[C@H](C=COC=C6C[C@]5(C3=O)SSSS4)OC(=O)[C@@H](C7=CC=CC=C7)O)OC(=O)CC8=CC=CC=C8 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawahara, N; Nozawa, K; Yamazaki, M; Nakajima, S; Kawai, K Structures of novel epipolythiodioxopiperazines, emethallicins B, C, and D, potent inhibitors of histamine release, from Emericella heterothallica Chemical and Pharmaceutical Bulletin 1990 38 (1) 73-78. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.38.73 | PMID | 2337952 |
