Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010128813 | Gold | 3 |
| CCMSLIB00010129496 | Gold | 3 |
| CCMSLIB00011427197 | Gold | 3 |
COMPOUND NPA002127
PROPERTIES
| NPAID | NPA002127 |
|---|---|
| CLUSTER ID | 1296 |
| NODE ID | 1093 |
| NAME | Arenaric acid |
| FORMULA | C41H68O15 |
| MOLECULAR WEIGHT (Da) | 800.9800 |
| ACCURATE MASS (Da) | 800.4558 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | QONCEXQYFKDJCY-HTJGIZBOSA-N |
| InChI | InChI=1S/C41H68O15/c1-20(25(6)42)17-21(2)33(43)29-14-13-27(52-29)28-15-16-31(53-28)39(8)36(50-11)24(5)41(56-39)22(3)30(48-9)18-26(54-41)19-32-38(7,51-12)35(49-10)23(4)40(47,55-32)34(44)37(45)46/h17,21-24,26-36,43-44,47H,13-16,18-19H2,1-12H3,(H,45,46)/b20-17+/t21-,22+,23-,24+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,38-,39+,40-,41-/m0/s1 |
| SMILES | C[C@@H]1[C@@H](C[C@H](O[C@@]12[C@@H]([C@H]([C@@](O2)(C)[C@H]3CC[C@H](O3)[C@H]4CC[C@@H](O4)[C@H]([C@@H](C)/C=C(\C)/C(=O)C)O)OC)C)C[C@H]5[C@]([C@H]([C@@H]([C@](O5)([C@H](C(=O)O)O)O)C)OC)(C)OC)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cheng, Xing C.; Jensen, Paul R.; Fenical, William Arenaric acid, a new pentacyclic polyether produced by a marine bacterium (Actinomycetales) Journal of Natural Products 1999 62 (4) 605-607. | ||
|---|---|---|---|
| DOI | 10.1021/np9801357 | PMID | 10217719 |
