CHEBI:167726 - Mussaenosidic acid

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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 Mussaenosidic acid
ChEBI ID CHEBI:167726
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O10
Net Charge 0
Average Mass 376.358
Monoisotopic Mass 376.13695
InChI InChI=1S/C16H24O10/c1-16(23)3-2-6-7(13(21)22)5-24-14(9(6)16)26-15-12(20)11(19)10(18)8(4-17)25-15/h5-6,8-12,14-15,17-20,23H,2-4H2,1H3,(H,21,22)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey VLCHQFXSBHIBRV-NJPMDSMTSA-N
SMILES O([C@@H]1OC=C([C@@]2([C@]1([C@@](O)(CC2)C)[H])[H])C(O)=O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Mussaenosidic acid (CHEBI:167726) is a glycoside (CHEBI:24400)
Mussaenosidic acid (CHEBI:167726) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Manual Xref Database
10264396 ChemSpider
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