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EntityQ104398877· pop 5· linked from 3 articles

esculeoside A

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Also known as VSQBWNYALURFOT-ZSFCQSFNSA-N

chemical compound

Wikidata facts

Mass
1269.59897602
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canonical SMILES
O=C(OC1CC(COC2OC(CO)C(O)C(O)C2O)CNC31OC4CC5C6CCC7CC(OC8OC(CO)C(OC9OC(CO)C(O)C(OC%10OCC(O)C(O)C%10O)C9OC%11OC(CO)C(O)C(O)C%11O)C(O)C8O)CCC7(C)C6CCC5(C)C4C3C)C
isomeric SMILES
CC(=O)O[C@H]1C[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CN[C@@]12O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
chemical formula
C₅₈H₉₅NO₂₉
Commons category
Esculeoside A
found in taxon
tomato
Sources (2)

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