Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010114561 | Gold | 3 |
| CCMSLIB00010125889 | Gold | 3 |
COMPOUND NPA016575
PROPERTIES
| NPAID | NPA016575 |
|---|---|
| CLUSTER ID | 1662 |
| NODE ID | 1358 |
| NAME | Aureolic acid |
| FORMULA | C52H76O24 |
| MOLECULAR WEIGHT (Da) | 1085.1560 |
| ACCURATE MASS (Da) | 1084.4727 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | CFCUWKMKBJTWLW-BKHRDMLASA-N |
| InChI | InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | GRUNDY, W E; GOLDSTEIN, A W; RICKHER, C J; HANES, M E; VARREN, H B; SYLVESTER, J C Aureolic acid, a new antibiotic. I. Microbiologic studies Antibiotics and Chemotherapy 1953 3 (12) 1215-1217. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541330 | PMID | 24542800 |
