CHEBI:199675 - Graphisidin

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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 Graphisidin
ChEBI ID CHEBI:199675
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O14
Net Charge 0
Average Mass 584.486
Monoisotopic Mass 584.11661
InChI InChI=1S/C28H24O14/c1-10(29)12-6-11(20(30)18-13(27(37)41-4)8-16(39-2)23(33)25(18)35)7-15(21(12)31)22(32)19-14(28(38)42-5)9-17(40-3)24(34)26(19)36/h6-9,31,33-36H,1-5H3
InChIKey LKSMKKXGGYJABY-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(C(O)=C(O)C(=C1)OC)C(=O)C2=C(O)C(C(=O)C)=CC(=C2)C(=O)C3=C(O)C(O)=C(OC)C=C3C(=O)OC
Metabolite of Species Details
Graphisspecies (in: ascomycete fungi) (NCBI:txid2046666) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Graphisidin (CHEBI:199675) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
methyl 2-[3-acetyl-5-(2,3-dihydroxy-4-methoxy-6-methoxycarbonylbenzoyl)-4-hydroxybenzoyl]-3,4-dihydroxy-5-methoxybenzoate
Manual Xref Database
78434638 ChemSpider
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