CHEBI:182720 - Daphylloside

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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 Daphylloside
ChEBI ID CHEBI:182720
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O12
Net Charge 0
Average Mass 446.405
Monoisotopic Mass 446.14243
InChI InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1
InChIKey YSOBQIMODQOGKQ-HOZAMIDDSA-N
SMILES O([C@@H]1OC=C([C@@]2([C@]1(C(=C[C@@H]2O)COC(=O)C)[H])[H])C(OC)=O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
ChEBI Ontology
Outgoing Daphylloside (CHEBI:182720) is a glycoside (CHEBI:24400)
Daphylloside (CHEBI:182720) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
methyl (1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Manual Xref Database
10232877 ChemSpider
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