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CHEBI:221012 - Monocillin V

ChEBI IDCHEBI:221012
ChEBI NameMonocillin V
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h8-10,15-16,20-21H,2-7H2,1H3/t10-,15-,16-/m1/s1
InChIKeyYXPSTSCHAVSCKS-UHNFBRDESA-N
Species of MetaboliteComponentSourceComments
Monocillium (ncbitaxon:581188) - DOI (10.1139/m80-133)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Monocillin V (CHEBI:221012) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4R,6R,8R)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),16,18-triene-2,13-dione
Manual XrefsDatabases
23338922ChemSpider