Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000919
PROPERTIES
NPAID | NPA000919 |
---|---|
CLUSTER ID | 178 |
NODE ID | 166 |
NAME | Hopene |
FORMULA | C32H54O |
MOLECULAR WEIGHT (Da) | 454.7830 |
ACCURATE MASS (Da) | 454.4175 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Burkholderia |
ORIGIN SPECIES | cepacia |
InChIKey | VXEJZIAQQHPIHP-BPLMESIISA-N |
InChI | InChI=1S/C32H54O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h15,20,22-27,33H,8-14,16-19,21H2,1-7H3/t22?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1 |
SMILES | CC(CCCO)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C=C[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Cvejic, J; Putra, S R; El-Beltagy, A; Hattori, R; Tsutomu, H; Rohmer, M Bacterial triterpenoids of the hopane series as biomarkers for the chemotaxonomy of Burkholderia, Pseudomonas and Ralstonia spp FEMS Microbiology Letters 2000 183 (2) 295-299. | ||
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DOI | 10.1016/s0378-1097(00)00006-9 | PMID | - |