Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002057
PROPERTIES
| NPAID | NPA002057 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | Not named |
| FORMULA | C44H77NO8 |
| MOLECULAR WEIGHT (Da) | 748.0990 |
| ACCURATE MASS (Da) | 747.5649 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Acetobacter |
| ORIGIN SPECIES | europaeus |
| InChIKey | ICVMHEYNHYJMDK-FYXVWVBMSA-N |
| InChI | InChI=1S/C44H77NO8/c1-23(19-24(2)34(48)35(49)29(47)21-53-38-33(45)36(50)37(51)44(38,52)22-46)27-13-16-40(7)28(27)14-17-42(9)31(40)11-12-32-41(8)20-25(3)26(4)39(5,6)30(41)15-18-43(32,42)10/h11-12,23-38,46-52H,13-22,45H2,1-10H3/t23?,24?,25?,26-,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40-,41-,42+,43+,44?/m0/s1 |
| SMILES | C[C@H]1C(C[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(C(COC6C(C(C(C6(CO)O)O)O)N)O)O)O)C)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 |
