Phaseolus e
PubChem CID: 12305148
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| Compound Synonyms | Phaseolus e, CHEBI:168697, 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 203.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | RWSSUUKUVKNZLZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | Gibberellin A8 2-glucoside, Gibberellin A8 3-glucopyranoside (incorr.), Phaseolus e |
| Heavy Atom Count | 37.0 |
| Compound Name | Phaseolus e |
| Description | Isolated from Hordeum vulgare (barley) and Phaseolus coccineus (scarlet runner bean). Phaseolus e is found in many foods, some of which are pulses, barley, scarlet bean, and cereals and cereal products. |
| Exact Mass | 526.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 526.205 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1050.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 526.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32) |
| Smiles | CC12C3C(C45CC(=C)C(C4)(CCC5C3(CC(C1O)OC6C(C(C(C(O6)CO)O)O)O)OC2=O)O)C(=O)O |
| Xlogp | -2.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H34O12 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all