CHEBI:220549 - Pestalotiollide C

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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 Pestalotiollide C
ChEBI ID CHEBI:220549
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O7
Net Charge 0
Average Mass 386.400
Monoisotopic Mass 386.13655
InChI InChI=1S/C21H22O7/c1-10(2)17(23)18(24)13-5-6-15-16(20(13)26-4)21(25)27-9-12-7-11(3)8-14(22)19(12)28-15/h5-8,17-18,22-24H,1,9H2,2-4H3/t17-,18+/m1/s1
InChIKey HHLSDNCZICXJDV-MSOLQXFVSA-N
SMILES O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@H](O)[C@H](O)C(=C)C
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: PubMed
ChEBI Ontology
Outgoing Pestalotiollide C (CHEBI:220549) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[(1S,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one