Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013641
PROPERTIES
| NPAID | NPA013641 |
|---|---|
| CLUSTER ID | 1025 |
| NODE ID | 883 |
| NAME | Triostin A |
| FORMULA | C50H62N12O12S2 |
| MOLECULAR WEIGHT (Da) | 1087.2520 |
| ACCURATE MASS (Da) | 1086.4052 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | GULVULFEAVZHHC-UHFFFAOYSA-N |
| InChI | InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64) |
| SMILES | CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Otsuka, Hideo; SHOJI, JUN'ICHI; KAWANO, KEIICHI; KYOGOKU, YOSHIMASA Structure confirmation of triostin A by 1H and 13C magnetic resonance Journal of Antibiotics 1976 29 (1) 107-110. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.29.107 | PMID | 931789 |
