Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020447
PROPERTIES
| NPAID | NPA020447 |
|---|---|
| CLUSTER ID | 6 |
| NODE ID | 6 |
| NAME | Hibarimicin I |
| FORMULA | C77H100O35 |
| MOLECULAR WEIGHT (Da) | 1585.6120 |
| ACCURATE MASS (Da) | 1584.6045 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbispora |
| ORIGIN SPECIES | rosea subsp. hibaria |
| InChIKey | DWVTVJUNKUSADX-LODFJEPCSA-N |
| InChI | InChI=1S/C77H100O35/c1-12-18-73(95)71(110-39-16-14-34(79)25(3)102-39)61(91)64(108-41-22-35(80)53(83)27(5)104-41)33-21-31-20-32-45(55(85)44(31)69(93)76(33,73)97)56(86)49(67(101-11)63(32)99-9)48-57(87)46-47(60(90)66(48)100-10)58(88)50-51(59(46)89)70(94)77(98)52-65(50)112-74(77,19-13-2)72(62(92)68(52)109-42-23-36(81)54(84)28(6)105-42)111-40-17-15-37(26(4)103-40)107-43-24-38(82)75(96,29(7)78)30(8)106-43/h20,25-28,30,33-43,52-54,61-62,64-65,68,71-72,79-86,88-89,91-92,95-98H,12-19,21-24H2,1-11H3/t25-,26-,27+,28+,30?,33?,34?,35-,36-,37?,38?,39+,40+,41+,42+,43?,52?,53+,54+,61?,62?,64?,65?,68?,71?,72?,73?,74?,75?,76?,77?/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]1CCC([C@H](O1)C)OC1CC(C(C(O1)C)(C(=O)C)O)O)O)O[C@H]1C[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]1CCC([C@H](O1)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | CHO, SUNG IG; FUKAZAWA, HIDESUKE; HONMA, YOSHIO; KAJIURA, TAKAYUKI; HORI, HIROSHI; IGARASHI, YASUHIRO; FURUMAI, TAMOTSU; OKI, TOSHIKAZU; UEHARA, YOSHIMASA Effects of Hibarimicins and Hibarimicin-Related Compounds Produced by Microbispora on v-Src Kinase Activity and Growth and Differentiation of Human Myeloid Leukemia HL-60 Cells Journal of Antibiotics 2002 55 (3) 270-278. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.55.270 | PMID | 12014442 |
