Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021348
PROPERTIES
| NPAID | NPA021348 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Orienticin D |
| FORMULA | C74H91ClN10O26 |
| MOLECULAR WEIGHT (Da) | 1572.0390 |
| ACCURATE MASS (Da) | 1570.5795 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | orientalis PA-42867 |
| InChIKey | BTCGMSGGRYTEHK-FRDKUPSWSA-N |
| InChI | InChI=1S/C74H91ClN10O26/c1-28(2)17-41(85(7)8)66(97)83-55-57(91)31-9-13-36(14-10-31)106-45-20-34-21-46(61(45)111-72-62(59(93)58(92)47(27-86)108-72)110-50-26-74(6,78)64(95)30(4)105-50)107-44-16-12-33(19-39(44)75)60(109-49-25-73(5,77)63(94)29(3)104-49)56-70(101)82-54(71(102)103)38-22-35(87)23-43(89)51(38)37-18-32(11-15-42(37)88)52(67(98)84-56)81-68(99)53(34)80-65(96)40(24-48(76)90)79-69(55)100/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,86-89,91-95H,17,24-27,77-78H2,1-8H3,(H2,76,90)(H,79,100)(H,80,96)(H,81,99)(H,82,101)(H,83,97)(H,84,98)(H,102,103)/t29-,30-,40-,41+,47+,49+,50+,52-,53-,54?,55-,56-,57+,58-,59+,60+,62+,63-,64-,72-,73+,74+/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]([C@@H]([C@@H](O[C@@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@@H]([C@@H]7C(=O)NC(C8=CC(=CC(=C8C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]([C@H](C1=CC=C(O4)C=C1)O)NC(=O)[C@H](CC(C)C)N(C)C)CC(=O)N)O)O)O)C(=O)O)O[C@H]1C[C@]([C@@H]([C@H](O1)C)O)(C)N)Cl)CO)O)O)(C)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsuji N; Kobayashi M; Kamigauchi T; Yoshimura Y; Terui Y NEW GLYCOPEPTIDE ANTIBIOTICS I. THE STRUCTURES OF ORIENTICINS Journal of Antibiotics 1988 41 (6) 819-822. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.819 | PMID | 3403380 |
