5,13,14-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
PubChem CID: 131752885
Connections displayed (default: 10).
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| Topological Polar Surface Area | 124.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | VDQMXBWLDLPSSR-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Disodium (orthosilicato(4-)-O)oxozirconate(2-), GA91, Gibberellin A91, Holmium selenide, Sodium zirconium oxide silicate (Na2ZrO(SiO4)), Sodium zirconium silicate |
| Heavy Atom Count | 26.0 |
| Compound Name | 5,13,14-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Description | Constituent of Triticum aestivum (wheat). Gibberellin A91 is found in many foods, some of which are wheat, common pea, cereals and cereal products, and common wheat. |
| Exact Mass | 364.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 763.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 364.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-12(11(17)14(22)23)16(2,15(24)26-19)6-9(20)13(19)21/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23) |
| Smiles | CC12CC(C(C3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O)O |
| Xlogp | -0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H24O7 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all