Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020705
PROPERTIES
| NPAID | NPA020705 |
|---|---|
| CLUSTER ID | 1662 |
| NODE ID | 1358 |
| NAME | 02-3D |
| FORMULA | C55H80O25 |
| MOLECULAR WEIGHT (Da) | 1141.2200 |
| ACCURATE MASS (Da) | 1140.4989 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | avellaneus 99/2/3 |
| InChIKey | DPXBORGLESAKSY-IGFOJPASSA-N |
| InChI | InChI=1S/C55H80O25/c1-20-32(76-37-16-33(45(61)22(3)70-37)77-36-15-31(58)51(68-10)25(6)73-36)14-29-12-28-13-30(52(69-11)50(66)44(60)21(2)56)53(49(65)42(28)48(64)41(29)43(20)59)80-39-18-34(46(62)24(5)72-39)78-38-17-35(47(63)23(4)71-38)79-40-19-55(9,67)54(26(7)74-40)75-27(8)57/h12,14,21-26,30-31,33-40,44-47,51-54,56,58-64,67H,13,15-19H2,1-11H3/t21-,22-,23-,24-,25-,26-,30+,31-,33-,34-,35-,36+,37-,38-,39-,40+,44-,45-,46+,47+,51+,52+,53-,54-,55-/m1/s1 |
| SMILES | C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@@H]([C@@H](C)O)O)OC)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@@]([C@@H]([C@H](O8)C)OC(=O)C)(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawano T; Hidaka T; Furihata K; Mochizuki J; Nakayama H; Hayakawa Y; Seto H ISOLATION AND STRUCTURES OF MONO- AND DI-DEACETYL CHROMOMYCIN ANTIBIOTICS 02-3D AND 02-3G FROM STREPTOMYCES AVELLANEUS Journal of Antibiotics 1990 43 (1) 110-113. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.110 | PMID | 2307622 |
