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CHEBI:182325 - 2-(4,5-Dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate

ChEBI IDCHEBI:182325
ChEBI Name2-(4,5-Dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESC=C(COC(=O)C(O)C(O)CO)C12OC1C1(C)C(=CC2=O)C(O)C(O)CC1C
InChIInChI=1S/C19H26O9/c1-8-4-11(21)14(24)10-5-13(23)19(17(28-19)18(8,10)3)9(2)7-27-16(26)15(25)12(22)6-20/h5,8,11-12,14-15,17,20-22,24-25H,2,4,6-7H2,1,3H3
InChIKeyKHZIUQMHAJNNKW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4,5-Dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate (CHEBI:182325) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate
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