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CHEBI:169512 - Lippioside I

ChEBI IDCHEBI:169512
ChEBI NameLippioside I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O13
Net Charge0
Average Mass538.502
Monoisotopic Mass538.16864
SMILESCC1(O)C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)/C=C/c4ccc(O)cc4)C(O)C(O)C3O)C21
InChIInChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+
InChIKeyQCPZTWAULZJVIK-QPJJXVBHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Lippioside I (CHEBI:169512) is a glycoside (CHEBI:24400)
Lippioside I (CHEBI:169512) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
6,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Manual XrefsDatabases
HMDB0034265HMDB