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CHEBI:181681 - 3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione

ChEBI IDCHEBI:181681
ChEBI Name3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O8
Net Charge0
Average Mass396.436
Monoisotopic Mass396.17842
SMILESCC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C(C)C(O)C(O)C2C13C
InChIInChI=1S/C20H28O8/c1-7-5-10(21)15(24)18(3)9(7)6-11-19(4)14(18)13(23)12(22)8(2)20(19,27)16(25)17(26)28-11/h5,8-9,11-16,22-25,27H,6H2,1-4H3
InChIKeyNWNMAVFXIRDAPM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione (CHEBI:181681) is a quassinoid (CHEBI:72485)
IUPAC Name 
3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
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