Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020929
PROPERTIES
| NPAID | NPA020929 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Arugomycin |
| FORMULA | C80H112N2O37 |
| MOLECULAR WEIGHT (Da) | 1693.7530 |
| ACCURATE MASS (Da) | 1692.6944 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | 1098-AV2 |
| InChIKey | MWGPOKWHXRTZII-IBBNRVHVSA-N |
| InChI | InChI=1S/C80H112N2O37/c1-30-63(89)43(98-13)24-55(103-30)116-74-36(7)109-56(29-78(74,8)82(96)97)115-69-32(3)105-51(23-42(69)85)117-75-62(81(11)12)67(93)77-118-73-39(80(75,10)119-77)21-40(83)59-60(73)64(90)38-20-37-57(65(91)58(38)66(59)92)47(28-79(9,95)61(37)76(94)102-17)110-52-25-45(100-15)71(34(5)106-52)113-50-22-41(84)68(31(2)104-50)112-53-27-46(101-16)72(35(6)108-53)114-54-26-44(99-14)70(33(4)107-54)111-49(88)19-18-48(86)87/h18-21,30-36,41-47,50-56,61-63,67-72,74-75,77,83-85,89,91,93,95H,22-29H2,1-17H3,(H,86,87)/b19-18+/t30-,31+,32-,33+,34+,35+,36+,41+,42-,43-,44+,45-,46+,47+,50-,51-,52-,53-,54-,55+,56-,61-,62+,63+,67+,68-,69+,70-,71-,72-,74+,75-,77-,78+,79-,80-/m0/s1 |
| SMILES | C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@]2(C)[N+](=O)[O-])O[C@@H]3[C@@H](O[C@H](C[C@@H]3O)O[C@H]4[C@@H]([C@H]([C@H]5OC6=C7C(=C(C=C6[C@@]4(O5)C)O)C(=O)C8=C(C9=C(C=C8C7=O)[C@H]([C@@](C[C@H]9O[C@H]1C[C@@H]([C@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)OC(=O)/C=C/C(=O)O)OC)OC)O)OC)(C)O)C(=O)OC)O)O)N(C)C)C)C)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawai H; Hayakawa Y; Nakagawa M; Imamura K; Tanabe K; Shimazu A; Seto H; Otake N ARUGOMYCIN, A NEW ANTHRACYCLINE ANTIBIOTIC Journal of Antibiotics 1983 36 (11) 1569-1571. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.36.1569 | PMID | 6651934 |
