| SpectraBase Compound ID | 3nhSpJoDttA |
|---|---|
| InChI | InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1 |
| InChIKey | PMBZSEOAOIYRMW-XGHDNVSXSA-N |
| Mol Weight | 357.31 g/mol |
| Molecular Formula | C15H19NO9 |
| Exact Mass | 357.105981 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 48CiTz7SN6 |
|---|---|
| Name | 2-GMBO |
| Alternate Name(s) | 2-O-glucosyl-7-methoxy-1,4(2H)-benzoxazin-3-one 2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methoxy-4H-1,4-benzoxazin-3-one 7-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one 7-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-1,4-benzoxazin-3-one 7-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4H-1,4-benzoxazin-3-one 7-Methoxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-1,4-benzoxazin-3-one |
| CAS Registry Number | 17622-26-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19NO9 |
| InChI | InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1 |
| InChIKey | PMBZSEOAOIYRMW-XGHDNVSXSA-N |
| Molecular Weight | 357.315 g/mol |
| SMILES | O[C@@]1([C@]([C@](OC2C(Nc3c(O2)cc(cc3)OC)=O)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-014j-1900000000-cf63b972245928036b9c |
| Source of Spectrum | T-67-3065-0 |
| Wiley ID | 1346334 |