| SpectraBase Compound ID | CjPpcECipCB |
|---|---|
| InChI | InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23) |
| InChIKey | UZOHDKGTYVTYDZ-UHFFFAOYSA-N |
| Mol Weight | 314.25 g/mol |
| Molecular Formula | C16H10O7 |
| Exact Mass | 314.042653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YOva32fT7l |
|---|---|
| Name | Endocrocin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.042652655 u |
| Formula | C16H10O7 |
| InChI | InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23) |
| InChIKey | UZOHDKGTYVTYDZ-UHFFFAOYSA-N |
| Molecular Weight | 314.249 g/mol |
| SMILES | C=1(C(=C(C=C2C(=O)C=3C=C(C=C(C3C(=O)C12)O)O)C)C(=O)O)O |