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CHEBI:181632 - 1-[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

ChEBI IDCHEBI:181632
ChEBI Name1-[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O13
Net Charge0
Average Mass538.502
Monoisotopic Mass538.16864
SMILESCC1(O)CCC2C(C(=O)O)=COC(OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)C21
InChIInChI=1S/C25H30O13/c1-25(34)7-6-12-13(22(32)33)9-36-23(18(12)25)38-24-21(31)20(30)19(29)16(37-24)10-35-17(28)5-3-11-2-4-14(26)15(27)8-11/h2-5,8-9,12,16,18-21,23-24,26-27,29-31,34H,6-7,10H2,1H3,(H,32,33)
InChIKeyAEBORMNUOJEQOL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid (CHEBI:181632) is a glycoside (CHEBI:24400)
1-[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid (CHEBI:181632) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid