CHEBI:203445 - Phelligridin H

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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 Phelligridin H
ChEBI ID CHEBI:203445
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H18O13
Net Charge 0
Average Mass 622.494
Monoisotopic Mass 622.07474
InChI InChI=1S/C33H18O13/c34-18-5-2-13(7-20(18)36)1-4-15-9-24-29(33(42)43-15)28(30(44-24)14-3-6-19(35)21(37)8-14)26-12-25-27(32(41)46-26)16-10-22(38)23(39)11-17(16)31(40)45-25/h1-12,34-39H/b4-1+
InChIKey PGRXQKVGAJTEBU-DAFODLJHSA-N
SMILES O=C1OC(C2=C(OC3=C2C(=O)OC(/C=C/C4=CC(O)=C(O)C=C4)=C3)C5=CC(O)=C(O)C=C5)=CC6=C1C7=C(C=C(O)C(=C7)O)C(O6)=O
Metabolite of Species Details
Phellinus igniarius (NCBI:txid40472) See: PubMed
ChEBI Ontology
Outgoing Phelligridin H (CHEBI:203445) is a isocoumarins (CHEBI:38758)
IUPAC Name
3-[2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxouro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
Manual Xref Database
17267228 ChemSpider
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