CHEBI:223022 - Pleosporalone G/H

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 Pleosporalone G/H
ChEBI ID CHEBI:223022
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30O8
Net Charge 0
Average Mass 434.485
Monoisotopic Mass 434.19407
InChI InChI=1S/C23H30O8/c1-5-15(29-4)10-16-7-13-8-19(26)23(3,28)21(17(13)11-30-16)31-22(27)20-12(2)6-14(24)9-18(20)25/h6,8-9,15-17,21,24-25,28H,5,7,10-11H2,1-4H3/t15?,16?,17-,21+,23-/m1/s1
InChIKey HVSHYHSSAQMWQE-BSAVFEBESA-N
SMILES O=C1C=C2[C@@H](COC(C2)CC(OC)CC)[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
ChEBI Ontology
Outgoing Pleosporalone G/H (CHEBI:223022) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name
[(7S,8S,8aS)-7-hydroxy-3-(2-methoxybutyl)-7-methyl-6-oxo-3,4,8,8a-tetrahydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
Manual Xref Database
71120857 ChemSpider
View more database links