EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218727 - Colletochlorin A

ChEBI IDCHEBI:218727
ChEBI NameColletochlorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25ClO5
Net Charge0
Average Mass356.846
Monoisotopic Mass356.13905
SMILESC/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C18H25ClO5/c1-10(6-8-14(21)18(3,4)24)5-7-12-16(22)13(9-20)11(2)15(19)17(12)23/h5,9,14,21-24H,6-8H2,1-4H3/b10-5+/t14-/m1/s1
InChIKeyBZMLULUMBUVADU-AZWQULSGSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum gloeosporioides (ncbitaxon:474922) - PubMed (29027474)
ChEBI Ontology
Outgoing Relation(s)
Colletochlorin A (CHEBI:218727) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
5-chloro-3-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enyl]-2,4-dihydroxy-6-methylbenzaldehyde