Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019957
PROPERTIES
NPAID | NPA019957 |
---|---|
CLUSTER ID | 178 |
NODE ID | 166 |
NAME | Ab-bis-homopanol |
FORMULA | C35H62O4 |
MOLECULAR WEIGHT (Da) | 546.8770 |
ACCURATE MASS (Da) | 546.4648 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Frankia |
ORIGIN SPECIES | sp. |
InChIKey | JMKBTQYGOKJMBJ-YONLIQCJSA-N |
InChI | InChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1 |
SMILES | C[C@H](CC[C@H]([C@H]([C@@H](CO)O)O)O)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(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. | ||
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DOI | 10.1046/j.1432-1327.2001.02348.x | PMID | 11488925 |