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CHEBI:186422 - Lippioside II

ChEBI IDCHEBI:186422
ChEBI NameLippioside II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O14
Net Charge0
Average Mass554.501
Monoisotopic Mass554.16356
SMILESCC1(O)C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)/C=C/c4ccc(O)c(O)c4)C(O)C(O)C3O)C21
InChIInChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+
InChIKeyYHZBVXGYEGLXCQ-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Lippioside II (CHEBI:186422) is a glycoside (CHEBI:24400)
Lippioside II (CHEBI:186422) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
1-[6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Manual XrefsDatabases
HMDB0034268HMDB