Dataset
Tiliroside
Chemical Info
InChI | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 |
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SMILES | C1(=C(C(=C(C(=C1/C(=C(/C(=O)OC([C@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])(O2)OC3=C(OC4=C(C(=C(C(=C4C3=O)O[H])[H])O[H])[H])C5=C(C(=C(C(=C5[H])[H])O[H])[H])[H])O[H])O[H])O[H])([H])[H])\[H])/[H])[H])[H])O[H])[H])[H] |
InChI Key | DVGGLGXQSFURLP-VWMSDXGPSA-N |
Molecular Formula | C30H26O13 |
Exact Mass | 594.137 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003231 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:33:39.391345 |
MetadataModified | 2024-01-11T12:33:39.563258 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |