Term: | Pelargonidin 3-sambubioside-5-glucoside |
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Accession: | CHEBI:186440
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Synonyms: | exact_synonym: | (2S,4S,5S)-2-[3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| related_synonym: | Formula=C32H39O19; InChI=1S/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/p+1/t15-,19?,20?,21?,22-,23-,24+,25?,26-,27?,29?,30+,31-,32-/m1/s1; InChIKey=NNEATHLRLZWIRN-OIZSHMMZSA-O; SMILES=O(C1C(O)[C@H](O)C(O[C@H]1OC=2C=C3C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)CO)[C@@H]6OC[C@@H](O)C(O)[C@H]6O |
| xref: | Chemspider:24842072; LIPID_MAPS_instance:LMPK12010025 |
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