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CHEBI:210373 - Colletomellein B

ChEBI IDCHEBI:210373
ChEBI NameColletomellein B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCc1c(O)c(C)c2c(c1O)C(=O)O[C@@H](CCCC(C)O)C2
InChIInChI=1S/C16H22O5/c1-8(17)5-4-6-11-7-12-9(2)14(18)10(3)15(19)13(12)16(20)21-11/h8,11,17-19H,4-7H2,1-3H3/t8?,11-/m0/s1
InChIKeyOHHXALPTLPRFKQ-LYNSQETBSA-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 B (CHEBI:210373) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-6,8-dihydroxy-3-(4-hydroxypentyl)-5,7-dimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78441097ChemSpider