CHEBI:228117 - Ascomindone 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 Ascomindone A
ChEBI ID CHEBI:228117
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H26O11
Net Charge 0
Average Mass 586.549
Monoisotopic Mass 586.14751
InChI InChI=1S/C32H26O11/c1-13-5-19(33)27(20(34)6-13)29-25-17(9-15(41-3)11-22(25)36)30(38)26(29)18-10-16(42-4)12-23(37)31(18)43-24-8-14(2)7-21(35)28(24)32(39)40/h5-12,33-37H,1-4H3,(H,39,40)
InChIKey GNUJZPJILJOQSW-UHFFFAOYSA-N
SMILES O=C1C(C2=C(OC3=C(C(O)=CC(=C3)C)C(=O)O)C(O)=CC(=C2)OC)=C(C4=C(O)C=C(C)C=C4O)C5=C1C=C(OC)C=C5O
ChEBI Ontology
Outgoing Ascomindone A (CHEBI:228117) is a stilbenoid (CHEBI:26776)
IUPAC Name
2-[2-[3-(2,6-dihydroxy-4-methylphenyl)-4-hydroxy-6-methoxy-1-oxoinden-2-yl]-6-hydroxy-4-methoxyphenoxy]-6-hydroxy-4-methylbenzoic acid
Manual Xref Database
60596849 ChemSpider
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