Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005932
PROPERTIES
| NPAID | NPA005932 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | 35-O-Phenylacetyl bacteriohopanetetrol triacetate |
| FORMULA | C49H74O8 |
| MOLECULAR WEIGHT (Da) | 791.1230 |
| ACCURATE MASS (Da) | 790.5384 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Frankia |
| ORIGIN SPECIES | sp. |
| InChIKey | PNPDJAKSSVKOSU-JVENDZPQSA-N |
| InChI | InChI=1S/C49H74O8/c1-31(17-18-38(55-32(2)50)44(57-34(4)52)39(56-33(3)51)30-54-43(53)29-35-15-12-11-13-16-35)36-21-26-46(7)37(36)22-27-48(9)41(46)19-20-42-47(8)25-14-24-45(5,6)40(47)23-28-49(42,48)10/h11-13,15-16,31,36-42,44H,14,17-30H2,1-10H3/t31-,36-,37+,38-,39+,40+,41-,42-,44-,46+,47+,48-,49-/m1/s1 |
| SMILES | C[C@H](CC[C@H]([C@H]([C@H](COC(=O)CC1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C)[C@H]2CC[C@]3([C@H]2CC[C@@]4([C@@H]3CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCCC6(C)C)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rosa-Putra, S; Nalin, R; Domenach, A M; Rohmer, M Novel hopanoids from Frankia spp. and related soil bacteria. Squalene cyclization and significance of geological biomarkers revisited European Journal of Biochemistry 2001 268 (15) 4300-4306. | ||
|---|---|---|---|
| DOI | 10.1046/j.1432-1327.2001.02348.x | PMID | 11488925 |
