CHEBI:198439 - 2'-O-methylhypostictic acid

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 2'-O-methylhypostictic acid
ChEBI ID CHEBI:198439
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O8
Net Charge 0
Average Mass 386.356
Monoisotopic Mass 386.10017
InChI InChI=1S/C20H18O8/c1-7-6-10(24-4)8(2)15-11(7)18(21)27-16-9(3)14(25-5)12-13(17(16)26-15)20(23)28-19(12)22/h6,20,23H,1-5H3/t20-/m0/s1
InChIKey IOZPJAPGESJGLC-FQEVSTJZSA-N
SMILES O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)OC)OC4=C1C(=CC(=C4C)OC)C
Metabolite of Species Details
Usnea undulata (NCBI:txid2563878) See: PubMed
ChEBI Ontology
Outgoing 2'-O-methylhypostictic acid (CHEBI:198439) is a aromatic ether (CHEBI:35618)
IUPAC Name
17-hydroxy-5,13-dimethoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaene-9,15-dione
Manual Xref Database
78435328 ChemSpider
View more database links