CHEBI:167212 - Lyciumoside I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lyciumoside I
ChEBI ID CHEBI:167212
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H54O12
Net Charge 0
Average Mass 630.772
Monoisotopic Mass 630.36153
InChI InChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10+,20-14+,21-13-/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31+,32-/m1/s1
InChIKey HQUVEBJUUSKUCJ-VLUPPCEVSA-N
SMILES O1[C@@H](O[C@](CC/C=C(/CC\C=C(\CC/C=C(\CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)/C)/C)\C)(C)C=C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Metabolite of Species Details
Nicotiana attenuata (NCBI:txid49451) Found in leaf (BTO:0000713). of strain Nicotiana attenuata Torr. ex. Watts See: MetaboLights Study
ChEBI Ontology
Outgoing Lyciumoside I (CHEBI:167212) is a disaccharide derivative (CHEBI:63353)
Lyciumoside I (CHEBI:167212) is a diterpene glycoside (CHEBI:71939)
IUPAC Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol
Manual Xref Database
8502137 ChemSpider
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