| SpectraBase Compound ID | 8jKnQoOaUNH |
|---|---|
| InChI | InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1 |
| InChIKey | GDYGAIKPBLFCKR-OIPGZRGRSA-N |
| Mol Weight | 314.25 g/mol |
| Molecular Formula | C13H14O9 |
| Exact Mass | 314.063782 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FpMzFW9EJS8 |
|---|---|
| Name | (-)-2-..beta.-D-Glucopyranosyl-gallic acid-delta-lactone |
| Alternate Name(s) | 3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one 3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one 2-(hydroxymethyl)-3,4,8,9,10-pentakis(oxidanyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O9 |
| InChI | InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1 |
| InChIKey | GDYGAIKPBLFCKR-OIPGZRGRSA-N |
| Molecular Weight | 314.246 g/mol |
| SMILES | O[C@]1([C@@]([C@@]2([C@](c3c(c(c(cc3C(O2)=O)O)O)O)(O[C@@]1(CO)[H])[H])[H])(O)[H])[H] |
| SPLASH | splash10-0006-0902000000-b8a3884e146c81ebb42d |
| Source of Spectrum | F-66-5916-12e |
| Wiley ID | 1683539 |