Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024604
PROPERTIES
| NPAID | NPA024604 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | MM 47761 |
| FORMULA | C72H86ClN9O28 |
| MOLECULAR WEIGHT (Da) | 1560.9680 |
| ACCURATE MASS (Da) | 1559.5271 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | orientalis NCIB 12608 |
| InChIKey | SJSZMXQSCZCGFO-ZJRAWZSVSA-N |
| InChI | InChI=1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)/t26?,27?,37?,38-,44?,46?,48+,49+,50-,51+,52-,53?,54+,55?,56?,57?,58?,59+,61?,62?,70?,71?,72?/m0/s1 |
| SMILES | CNC(CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=C(O)C=CC3=C4)[C@H](OC3CC(C)(N)C(O)C(C)O3)C3=CC=C(C=C3)OC3=CC2=CC(=C3OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC2=C(Cl)C=C(C=C2)[C@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Box SJ; Elson AL; Gilpin ML; Winstanley DJ MM 47761 and MM 49721, glycopeptide antibiotics produced by a new strain of Amycolatopsis orientalis. Isolation, purification and structure determination. Journal of Antibiotics 1990 43 (8) 931-937. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.931 | PMID | 2120168 |
