Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021351
PROPERTIES
| NPAID | NPA021351 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Orienticin A |
| FORMULA | C73H89ClN10O26 |
| MOLECULAR WEIGHT (Da) | 1558.0120 |
| ACCURATE MASS (Da) | 1556.5638 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | orientalis PA-42867 |
| InChIKey | BURNGCVAUVZERJ-KIQACBBASA-N |
| InChI | InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)30-8-12-35(13-9-30)105-44-19-33-20-45(60(44)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)106-43-15-11-32(18-38(43)74)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48+,49+,51-,52-,53?,54-,55-,56+,57-,58+,59+,61+,62-,63-,71-,72+,73+/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)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)(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 |
