Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012650
PROPERTIES
| NPAID | NPA012650 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Demethyl-balhimycin |
| FORMULA | C65H71Cl2N9O24 |
| MOLECULAR WEIGHT (Da) | 1433.2280 |
| ACCURATE MASS (Da) | 1431.3989 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | sp. Y-86, 21022 |
| InChIKey | KEOVUUXSWGRLCU-UPNLJBPRSA-N |
| InChI | InChI=1S/C65H71Cl2N9O24/c1-22(2)11-33(68)57(87)75-48-50(82)25-6-9-37(31(66)13-25)96-39-15-27-16-40(55(39)100-64-53(85)52(84)51(83)41(21-77)98-64)97-38-10-7-26(14-32(38)67)54(99-43-20-65(4,70)56(86)23(3)95-43)49-62(92)74-47(63(93)94)30-17-28(78)18-36(80)44(30)29-12-24(5-8-35(29)79)45(59(89)76-49)73-60(90)46(27)72-58(88)34(19-42(69)81)71-61(48)91/h5-10,12-18,22-23,33-34,41,43,45-54,64,77-80,82-85H,11,19-21,68,70H2,1-4H3,(H2,69,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t23-,33+,34?,41+,43-,45+,46+,47+,48+,49-,50+,51+,52-,53+,54+,64-,65-/m0/s1 |
| SMILES | C[C@H]1C(=O)[C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)N)O)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC1=C(C=C2C=C1)Cl)O)O)O)C(=O)O)(C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vértesy, L; Fehlhaber, H W; Kogler, H; Limbert, M New 4-oxovancosamine-containing glycopeptide antibiotics from Amycolatopsis sp. Y-86,21022 Journal of Antibiotics 1996 49 (1) 115-118. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.115 | PMID | 8609078 |
