Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021998
PROPERTIES
| NPAID | NPA021998 |
|---|---|
| CLUSTER ID | 2127 |
| NODE ID | 1698 |
| NAME | Rhizovarin E |
| FORMULA | C39H51NO5 |
| MOLECULAR WEIGHT (Da) | 613.8390 |
| ACCURATE MASS (Da) | 613.3767 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Mucor |
| ORIGIN SPECIES | irregularis QEN-189 |
| InChIKey | ULAVCJKSVMEGQI-GSHAFRTFSA-N |
| InChI | InChI=1S/C39H51NO5/c1-18(2)22-16-21-11-13-36(6)37(7)24(12-14-38(36,43)39(21)34(45-39)31(22)41)32(44-8)30-29-26(40-33(30)37)10-9-20-15-19(3)23-17-25(35(4,5)42)28(23)27(20)29/h9-10,21-25,28,31-32,34,40-43H,1,3,11-17H2,2,4-8H3/t21-,22-,23-,24+,25+,28+,31+,32+,34-,36-,37-,38+,39+/m1/s1 |
| SMILES | CC(=C)[C@H]1C[C@H]2CC[C@@]3([C@@]4([C@@H](CC[C@]3([C@@]25[C@@H]([C@H]1O)O5)O)[C@@H](C6=C4NC7=C6C8=C(CC(=C)[C@@H]9[C@H]8[C@H](C9)C(C)(C)O)C=C7)OC)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gao, Shu-Shan; Li, Xiao-Ming; Williams, Katherine; Proksch, Peter; Ji, Nai-Yun; Wang, Bin-Gui Rhizovarins A-F, Indole-Diterpenes from the Mangrove-Derived Endophytic Fungus Mucor irregularis QEN-189 Journal of Natural Products 2016 79 (8) 2066-2074. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00403 | PMID | 27462726 |
