CHEBI:213500 - Parmetherine B

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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 B
ChEBI ID CHEBI:213500
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O15
Net Charge 0
Average Mass 626.523
Monoisotopic Mass 626.12717
InChI InChI=1S/C30H26O15/c1-10-6-16(33)14(8-31)25(17(10)27(38)41-3)44-26-20-19(29(40)45-30(20)43-5)22(35)13(24(26)37)7-12-11(2)18(28(39)42-4)23(36)15(9-32)21(12)34/h6,8-9,30,33-37H,7H2,1-5H3/t30-/m0/s1
InChIKey SGJOCLFRCQZJHJ-PMERELPUSA-N
SMILES O=C1O[C@H](OC)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 B (CHEBI:213500) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 3-ormyl-5-[[7-(2-ormyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-4,6-dihydroxy-1-methoxy-3-oxo-1H-2-benzouran-5-yl]methyl]-2,4-dihydroxy-6-methylbenzoate