Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA001600
PROPERTIES
NPAID | NPA001600 |
---|---|
CLUSTER ID | 180 |
NODE ID | 168 |
NAME | 35‐O‐β– 3,5‐anhydrogalacturonopyranosylbacteriohopanetetrol 2β‐methyl |
FORMULA | C42H70O9 |
MOLECULAR WEIGHT (Da) | 719.0130 |
ACCURATE MASS (Da) | 718.5020 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Prochlorothrix |
ORIGIN SPECIES | sp. |
InChIKey | LZFNRZGVNTWMJB-IUJMXDINSA-N |
InChI | InChI=1S/C42H70O9/c1-22-19-38(3,4)28-15-18-42(8)30(40(28,6)20-22)12-11-29-39(5)16-13-24(25(39)14-17-41(29,42)7)23(2)9-10-26(43)31(45)27(44)21-49-37-33(47)34-32(46)35(51-37)36(48)50-34/h22-35,37,43-47H,9-21H2,1-8H3/t22-,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,37?,39+,40+,41-,42-/m1/s1 |
SMILES | C[C@H]1C[C@@]2(C3CCC4[C@]5(CCC(C5CC[C@]4([C@@]3(CCC2C(C1)(C)C)C)C)[C@@H](C)CCC(C(C(COC6C(C7C(C(O6)C(=O)O7)O)O)O)O)O)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Pascale Simonin, Uwe J. Jürgens, Michel Rohmer Bacterial triterpenoids of the hopane series from the prochlorophyte Prochlorothrix hollandica and their intracellular localization. European Journal of Biochemistry 1996 241 (3) 865-871. | ||
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DOI | 10.1111/j.1432-1033.1996.00865.x | PMID | 8944776 |