CHEBI:192045 - Pigment A aglycone

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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 Pigment A aglycone
ChEBI ID CHEBI:192045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H19O8
Net Charge +1
Average Mass 447.418
Monoisotopic Mass 447.10744
InChI InChI=1S/C25H18O8/c1-30-20-7-13(8-21(31-2)24(20)29)25-23(28)16-11-17(12-3-5-14(26)6-4-12)32-18-9-15(27)10-19(33-25)22(16)18/h3-11,26,28-29H,1-2H3/p+1
InChIKey FDAUNCGQMWQKOE-UHFFFAOYSA-O
SMILES O1C=2C3=C(C(O)=C1C4=CC(OC)=C(O)C(OC)=C4)C=C(OC3=CC(=[OH+])C2)C5=CC=C(O)C=C5
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Pigment A aglycone (CHEBI:192045) is a ether (CHEBI:25698)
Pigment A aglycone (CHEBI:192045) is a flavonoids (CHEBI:72544)
IUPAC Name
[4-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium