Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021215
PROPERTIES
| NPAID | NPA021215 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Verticillin A |
| FORMULA | C30H28N6O6S4 |
| MOLECULAR WEIGHT (Da) | 696.8580 |
| ACCURATE MASS (Da) | 696.0953 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Verticillium |
| ORIGIN SPECIES | sp. TM-759 |
| InChIKey | IMGTYEJTVRXGLW-LRESJZTJSA-N |
| InChI | InChI=1S/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1 |
| SMILES | CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1([C@@]12C4=CC=CC=C4N[C@@H]1N1C(=O)[C@]4(C)SS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Katagiri K; Sato K; Hayakawa S; Matsushima T; Minato H VERTICILLIN A, A NEW ANTI-BIOTIC FROM VERTICILLIUM SF. Journal of Antibiotics 1970 23 (8) 420-422. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.23.420 | PMID | 5465723 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CN1C(=O)C23SSC1(C)C(=O)N2C1NC2=CC=CC=C2C1(C12C4=CC=CC=C4NC1N1C(=O)C4(C)SSC1(C(=O)N4C)C2O)C3O | Katagiri K; Sato K; Hayakawa S; Matsushima T; Minato H VERTICILLIN A, A NEW ANTI-BIOTIC FROM VERTICILLIUM SF. Journal of Antibiotics 1970 23 (8) 420-422. DOI: 10.7164/antibiotics.23.420 PMID: 5465723 | ||
| 2 | CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1([C@@]12C4=CC=CC=C4N[C@@H]1N1C(=O)[C@]4(C)SS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O | Chu; Truumees; Rothofsky; Patel; Gentile; Das; Puar; Lin Inhibition of c-fos proto-oncogene induction by Sch 52900 and Sch 52901, novel diketopiperazines produced by Gliocladium sp Journal of Antibiotics 1995 48 (12) 1440-1445. DOI: 10.7164/antibiotics.48.1440 PMID: 8557601 | ||
