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CHEBI:172577 - Coriandrone D

ChEBI IDCHEBI:172577
ChEBI NameCoriandrone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O7
Net Charge0
Average Mass352.383
Monoisotopic Mass352.15220
SMILESCOc1cc2c(c(O)c1CC(OC(C)=O)C(C)(C)O)C(=O)O[C@@H](C)C2
InChIInChI=1S/C18H24O7/c1-9-6-11-7-13(23-5)12(16(20)15(11)17(21)24-9)8-14(18(3,4)22)25-10(2)19/h7,9,14,20,22H,6,8H2,1-5H3/t9-,14?/m0/s1
InChIKeyZSKZYWHCOISHNI-CUVJYRNJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Coriandrone D (CHEBI:172577) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[3-hydroxy-1-[(3S)-8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-7-yl]-3-methylbutan-2-yl] acetate