Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727608 | Gold | 3 |
| CCMSLIB00005727601 | Gold | 3 |
| CCMSLIB00005727378 | Gold | 3 |
| CCMSLIB00005727242 | Gold | 3 |
| CCMSLIB00005727838 | Gold | 3 |
| CCMSLIB00005727914 | Gold | 3 |
| CCMSLIB00005727352 | Gold | 3 |
| CCMSLIB00005727743 | Gold | 3 |
COMPOUND NPA010350
PROPERTIES
| NPAID | NPA010350 |
|---|---|
| CLUSTER ID | 18 |
| NODE ID | 18 |
| NAME | Stachybocin B |
| FORMULA | C52H70N2O11 |
| MOLECULAR WEIGHT (Da) | 899.1350 |
| ACCURATE MASS (Da) | 898.4980 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachybotrys |
| ORIGIN SPECIES | sp. M6222 |
| InChIKey | ZRTGPZGAMCJZNA-CRDDFVEESA-N |
| InChI | InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-35(55)19-28-32(41(30)64-51)24-53(44(28)60)18-10-9-11-34(46(62)63)54-25-33-29(45(54)61)20-36(56)31-22-52(65-42(31)33)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27-,34+,37-,38?,39?,40-,43-,49+,50+,51-,52-/m1/s1 |
| SMILES | C[C@@H]1CCC2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCCC[C@@H](C(=O)O)N6CC7=C8C(=C(C=C7C6=O)O)C[C@@]9(O8)[C@@H](CCC1[C@@]9(C[C@H]([C@H](C1(C)C)O)O)C)C)O)(CC[C@H](C2(C)C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nakamura; Ito; Ogawa; Michisuji; Sato; Takada; Hayashi; Yaginuma; Yamamoto Stachybocins, novel endothelin receptor antagonists, produced by Stachybotrys sp. M6222. 1. Taxonomy, fermentation, isolation and characterization Journal of Antibiotics 1995 48 (12) 1389-1395. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.1389 | PMID | 8557592 |
