CHEBI:224462 - Pochonin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pochonin A
ChEBI ID CHEBI:224462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H19ClO6
Net Charge 0
Average Mass 366.790
Monoisotopic Mass 366.08702
InChI InChI=1S/C18H19ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b4-2+/t9-,14-,15-/m1/s1
InChIKey WUSYBKJSCTYKMV-WSLUJDFDSA-N
SMILES ClC1=C(O)C=C(O)C2=C1CC(=O)C=CCC[C@@H]3[C@@H](C[C@H](OC2=O)C)O3
Metabolite of Species Details
Pochonia (NCBI:txid243023) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pochonin A (CHEBI:224462) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
(4R,6R,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
Manual Xref Database
28283081 ChemSpider
View more database links