Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021350
PROPERTIES
| NPAID | NPA021350 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Orienticin B |
| FORMULA | C72H86ClN9O27 |
| MOLECULAR WEIGHT (Da) | 1544.9690 |
| ACCURATE MASS (Da) | 1543.5322 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | orientalis PA-42867 |
| InChIKey | VUYIFQIEISVCHE-SEZUVTQISA-N |
| InChI | InChI=1S/C72H86ClN9O27/c1-26(2)15-38(76-6)64(94)81-54-57(90)29-7-11-34(12-8-29)104-44-18-32-19-45(61(44)109-71-62(59(92)58(91)46(25-83)106-71)107-48-23-42(87)56(89)27(3)102-48)105-43-14-10-31(17-37(43)73)60(108-49-24-72(5,75)63(93)28(4)103-49)55-69(99)80-53(70(100)101)36-20-33(84)21-41(86)50(36)35-16-30(9-13-40(35)85)51(66(96)82-55)79-67(97)52(32)78-65(95)39(22-47(74)88)77-68(54)98/h7-14,16-21,26-28,38-39,42,46,48-49,51-60,62-63,71,76,83-87,89-93H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,98)(H,78,95)(H,79,97)(H,80,99)(H,81,94)(H,82,96)(H,100,101)/t27-,28-,38+,39-,42+,46+,48+,49+,51-,52-,53?,54-,55-,56-,57+,58-,59+,60+,62+,63-,71-,72+/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@H](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)NC)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)O)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 |
