Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009710
PROPERTIES
| NPAID | NPA009710 |
|---|---|
| CLUSTER ID | 6 |
| NODE ID | 6 |
| NAME | Hibarimicin D |
| FORMULA | C85H112O38 |
| MOLECULAR WEIGHT (Da) | 1741.7930 |
| ACCURATE MASS (Da) | 1740.6832 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbispora |
| ORIGIN SPECIES | rosea (TP-A0121) |
| InChIKey | NBQIPBWBWLRUKS-VSRBLZJVSA-N |
| InChI | InChI=1S/C85H112O38/c1-14-21-81(104)78(121-45-18-16-42(29(3)111-45)117-47-20-23-80(103,33(7)86)35(9)115-47)68(99)71(119-48-26-40(88)60(91)31(5)113-48)39-25-37-24-38-52(62(93)51(37)76(101)84(39,81)106)63(94)56(74(110-13)70(38)108-11)55-64(95)53-54(67(98)73(55)109-12)65(96)57-58(66(53)97)77(102)85(107)59-72(57)123-82(85,22-15-2)79(69(100)75(59)120-49-27-41(89)61(92)32(6)114-49)122-46-19-17-43(30(4)112-46)118-50-28-44(90)83(105,34(8)87)36(10)116-50/h24,29-32,35-36,39-50,59-61,68-69,71-72,75,78-79,88-94,96-97,99-100,103-107H,14-23,25-28H2,1-13H3/t29-,30-,31+,32+,35-,36-,39?,40-,41-,42+,43+,44+,45+,46+,47-,48+,49?,50-,59?,60+,61+,68?,69?,71?,72?,75?,78?,79?,80+,81?,82?,83+,84?,85?/m1/s1 |
| SMILES | CCCC1(C(C(C(C2C1(C(=O)C3=C(C2)C=C4C(=C3O)C(=C(C(=C4OC)OC)C5=C(C(=O)C6=C(C5=O)C(=C7C(=C6O)C8C9C(C(C(C(C9(C7=O)O)(O8)CCC)O[C@H]1CC[C@@H]([C@H](O1)C)O[C@@H]1C[C@@H]([C@@]([C@H](O1)C)(C(=O)C)O)O)O)OC1C[C@H]([C@H]([C@@H](O1)C)O)O)O)OC)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1CC[C@@H]([C@H](O1)C)O[C@@H]1CC[C@@]([C@H](O1)C)(C(=O)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kajiura, Takayuki; Furumai, Tamotsu; Igarashi, Yasuhiro; Hori, Hiroshi; Higashi, Kazuaki; Ishiyama, Tadayuki; Uramoto, Masakazu; Uehara, Yoshimasa; Oki, Toshikazu Signal transduction inhibitors, hibarimicins A, B, C, D and G produced by Microbispora. I. Taxonomy, fermentation, isolation and physico-chemical and biological properties Journal of Antibiotics 1998 51 (4) 394-401. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.51.394 | PMID | 9630861 |
