CHEBI:215504 - Asperlide 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 Asperlide C
ChEBI ID CHEBI:215504
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O6
Net Charge 0
Average Mass 382.412
Monoisotopic Mass 382.14164
InChI InChI=1S/C22H22O6/c1-22(2,26)18-11-14-9-12(3-8-16(14)27-18)10-17-19(20(24)21(25)28-17)13-4-6-15(23)7-5-13/h3-9,17-18,23-24,26H,10-11H2,1-2H3/t17-,18?/m1/s1
InChIKey DLXKJAGJQUQBCR-QNSVNVJESA-N
SMILES O=C1O[C@H](CC2=CC3=C(OC(C3)C(O)(C)C)C=C2)C(=C1O)C4=CC=C(O)C=C4
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Asperlide C (CHEBI:215504) is a 1-benzofurans (CHEBI:38830)
IUPAC Name
(2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]methyl]-2H-uran-5-one
Manual Xref Database
71048515 ChemSpider
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