Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012978
PROPERTIES
| NPAID | NPA012978 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | Not named |
| FORMULA | C42H73NO9 |
| MOLECULAR WEIGHT (Da) | 736.0440 |
| ACCURATE MASS (Da) | 735.5285 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Acetobacter |
| ORIGIN SPECIES | europaeus |
| InChIKey | XPQQFLOBGARKSQ-ZMCYARIZSA-N |
| InChI | InChI=1S/C42H73NO9/c1-22(19-26(45)32(47)33(48)27(46)20-52-36-31(43)34(49)35(50)42(36,51)21-44)24-12-16-38(5)25(24)13-17-40(7)29(38)9-10-30-39(6)15-11-23(2)37(3,4)28(39)14-18-41(30,40)8/h9-10,22-36,44-51H,11-21,43H2,1-8H3/t22?,23-,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,38-,39-,40+,41+,42?/m0/s1 |
| SMILES | C[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C=CC4[C@]3(CCC5[C@@]4(CC[C@@H]5C(C)CC(C(C(C(COC6C(C(C(C6(CO)O)O)O)N)O)O)O)O)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Simonin, Pascale; Tindall, Brian; Rohmer, Michel Structure elucidation and biosynthesis of 31-methylhopanoids from Acetobacter europaeus. Studies on a new series of bacterial triterpenoids European Journal of Biochemistry 1994 225 (2) 765-771. | ||
|---|---|---|---|
| DOI | 10.1111/j.1432-1033.1994.00765.x | PMID | 7957191 |
