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CHEBI:217615 - Colletomellein A

ChEBI IDCHEBI:217615
ChEBI NameColletomellein A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCCC(O)CC[C@H]1Cc2c(C)c(O)c(C)c(O)c2C(=O)O1
InChIInChI=1S/C16H22O5/c1-4-10(17)5-6-11-7-12-8(2)14(18)9(3)15(19)13(12)16(20)21-11/h10-11,17-19H,4-7H2,1-3H3/t10?,11-/m0/s1
InChIKeyZYFJMOYLJGSVMD-DTIOYNMSSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (26182330)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Colletomellein A (CHEBI:217615) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-6,8-dihydroxy-3-(3-hydroxypentyl)-5,7-dimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78441359ChemSpider