CHEBI:178171 - Osmanthuside A

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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 Osmanthuside A
ChEBI ID CHEBI:178171
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O9
Net Charge 0
Average Mass 446.452
Monoisotopic Mass 446.15768
InChI InChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+/t18-,20-,21-,22-,23-/m1/s1
InChIKey TXIKDCCKEBXQGU-WYSYKVOOSA-N
SMILES O1[C@@H]([C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1OCCC3=CC=C(O)C=C3)CO
Metabolite of Species Details
Arisaema erubescens (NCBI:txid228806) Found in bulb (BTO:0000159). See: MetaboLights Study
ChEBI Ontology
Outgoing Osmanthuside A (CHEBI:178171) is a cinnamate ester (CHEBI:36087)
IUPAC Name
[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xref Database
103883936 ChemSpider
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