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CHEBI:181734 - MEGxp0_000538

ChEBI IDCHEBI:181734
ChEBI NameMEGxp0_000538
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O12
Net Charge0
Average Mass524.519
Monoisotopic Mass524.18938
SMILESCOc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1
InChIInChI=1S/C25H32O12/c1-24(31)11-16(36-17(27)8-5-13-3-6-14(33-2)7-4-13)25(32)9-10-34-23(21(24)25)37-22-20(30)19(29)18(28)15(12-26)35-22/h3-10,15-16,18-23,26,28-32H,11-12H2,1-2H3/b8-5+
InChIKeyLGFYNKGLEKBLDA-VMPITWQZSA-N
ChEBI Ontology
Outgoing Relation(s)
MEGxp0_000538 (CHEBI:181734) is a glycoside (CHEBI:24400)
MEGxp0_000538 (CHEBI:181734) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
[4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
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22912958ChemSpider