CHEBI:213494 - Parmetherine 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 Parmetherine A
ChEBI ID CHEBI:213494
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H24O15
Net Charge 0
Average Mass 612.496
Monoisotopic Mass 612.11152
InChI InChI=1S/C29H24O15/c1-9-5-15(32)13(7-30)24(16(9)26(37)41-3)43-25-19-18(28(39)44-29(19)40)21(34)12(23(25)36)6-11-10(2)17(27(38)42-4)22(35)14(8-31)20(11)33/h5,7-8,29,32-36,40H,6H2,1-4H3/t29-/m0/s1
InChIKey HCAHLVLGUSJNFH-LJAQVGFWSA-N
SMILES O=C1O[C@H](O)C=2C1=C(O)C(=C(O)C2OC3=C(C(=CC(=C3C=O)O)C)C(=O)OC)CC4=C(O)C(=C(O)C(=C4C)C(=O)OC)C=O
Metabolite of Species Details
Parmotrema dilatatum (NCBI:txid2559076) See: PubMed
ChEBI Ontology
Outgoing Parmetherine A (CHEBI:213494) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 3-ormyl-5-[[7-(2-ormyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-1,4,6-trihydroxy-3-oxo-1H-2-benzouran-5-yl]methyl]-2,4-dihydroxy-6-methylbenzoate