Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015961
PROPERTIES
| NPAID | NPA015961 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | Demannosyl-A40926 |
| FORMULA | C76H76Cl2N8O24 |
| MOLECULAR WEIGHT (Da) | 1556.3820 |
| ACCURATE MASS (Da) | 1554.4350 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nonomuraea |
| ORIGIN SPECIES | sp. ATCC 39727 |
| InChIKey | GXCQQHJHUPWIIR-DDTRUKMISA-N |
| InChI | InChI=1S/C76H76Cl2N8O24/c1-3-4-5-6-7-8-9-10-11-53(92)81-62-64(94)65(95)67(75(104)105)110-76(62)109-66-51-26-36-27-52(66)108-49-21-16-35(24-43(49)77)63(93)61-73(101)85-60(74(102)103)41-28-37(87)29-47(90)54(41)40-23-33(14-19-45(40)88)57(70(98)86-61)82-71(99)58(36)83-72(100)59-42-30-39(31-48(91)55(42)78)107-50-25-34(15-20-46(50)89)56(79-2)69(97)80-44(68(96)84-59)22-32-12-17-38(106-51)18-13-32/h12-21,23-31,44,56-65,67,76,79,87-91,93-95H,3-11,22H2,1-2H3,(H,80,97)(H,81,92)(H,82,99)(H,83,100)(H,84,96)(H,85,101)(H,86,98)(H,102,103)(H,104,105)/t44-,56-,57-,58-,59+,60+,61+,62?,63-,64?,65?,67?,76?/m1/s1 |
| SMILES | CCCCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O)O)C(=O)O)O)Cl)C(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | BELTRAMETTI, FABRIZIO; LAZZARINI, AMERIGA; BRUNATI, CRISTINA; SELVA, ENRICO; MARINELLI, FLAVIA Production of Demannosyl-A40926 by a Nonomuraea sp. ATCC 39727 Mutant Strain Journal of Antibiotics 2003 56 (3) 310-313. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.56.310 | PMID | 12760688 |
