CHEBI:218507 - Pestalotilide A

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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 Pestalotilide A
ChEBI ID CHEBI:218507
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O7
Net Charge 0
Average Mass 388.416
Monoisotopic Mass 388.15220
InChI InChI=1S/C21H24O7/c1-11-7-13-10-27-20(24)17-15(28-18(13)14(22)8-11)6-5-12(19(17)26-4)9-16(23)21(2,3)25/h5-8,16,22-23,25H,9-10H2,1-4H3/t16-/m0/s1
InChIKey RTWTUSKKBPYQOX-INIZCTEOSA-N
SMILES O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)C[C@H](O)C(O)(C)C
ChEBI Ontology
Outgoing Pestalotilide A (CHEBI:218507) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one