Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017370
PROPERTIES
| NPAID | NPA017370 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Chloro-orienticin D |
| FORMULA | C74H90Cl2N10O26 |
| MOLECULAR WEIGHT (Da) | 1606.4840 |
| ACCURATE MASS (Da) | 1604.5405 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | orientalis PA-45052 |
| InChIKey | GXIYAZLYUMROIQ-IMJXUXAKSA-N |
| InChI | InChI=1S/C74H90Cl2N10O26/c1-27(2)15-40(86(7)8)66(98)84-55-57(92)31-10-13-43(37(75)17-31)107-45-19-33-20-46(61(45)112-72-62(59(94)58(93)47(26-87)109-72)111-50-25-74(6,79)64(96)29(4)106-50)108-44-14-11-32(18-38(44)76)60(110-49-24-73(5,78)63(95)28(3)105-49)56-70(102)83-54(71(103)104)36-21-34(88)22-42(90)51(36)35-16-30(9-12-41(35)89)52(67(99)85-56)82-68(100)53(33)81-65(97)39(23-48(77)91)80-69(55)101/h9-14,16-22,27-29,39-40,47,49-50,52-60,62-64,72,87-90,92-96H,15,23-26,78-79H2,1-8H3,(H2,77,91)(H,80,101)(H,81,97)(H,82,100)(H,83,102)(H,84,98)(H,85,99)(H,103,104)/t28?,29?,39-,40+,47?,49?,50?,52?,53+,54-,55+,56?,57+,58?,59?,60+,62?,63?,64?,72?,73?,74?/m0/s1 |
| SMILES | CC1C(C(CC(O1)O[C@H]2C3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C)O)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)N)OC1=C(C=C2C=C1)Cl)O)O)O)C(=O)O)(C)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | TSUJI, NAOKI; KAMIGAUCHI, TOSHIYUKI; KOBAYASHI, MASAAKI; TERUI, YOSHIHIRO New glycopeptide antibiotics: II. The isolation and structures of chloroorienticins Journal of Antibiotics 1988 41 (10) 1506-1510. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.1506 | PMID | 3272137 |
