CHEBI:207857 - Pestalasin D

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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 Pestalasin D
ChEBI ID CHEBI:207857
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14O6
Net Charge 0
Average Mass 266.249
Monoisotopic Mass 266.07904
InChI InChI=1S/C13H14O6/c1-18-10-4-7-2-8(3-9(15)6-14)13(17)19-12(7)11(16)5-10/h2,4-5,9,14-16H,3,6H2,1H3/t9-/m0/s1
InChIKey NPABHULWNOHBRC-VIFPVBQESA-N
SMILES O=C1OC2=C(O)C=C(OC)C=C2C=C1C[C@H](O)CO
Metabolite of Species Details
Pestalotiopsisspecies (NCBI:txid36460) See: PubMed
ChEBI Ontology
Outgoing Pestalasin D (CHEBI:207857) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name
3-(2,3-dihydroxypropyl)-8-hydroxy-6-methoxychromen-2-one
Manual Xref Database
24648290 ChemSpider
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