CHEBI:220508 - 3-methylpentyl-2, 4-dichloroasterrate

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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 3-methylpentyl-2, 4-dichloroasterrate
ChEBI ID CHEBI:220508
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H30Cl2O8
Net Charge 0
Average Mass 529.410
Monoisotopic Mass 528.13177
InChI InChI=1S/C25H30Cl2O8/c1-6-13(2)9-7-8-10-34-25(31)18-21(29)19(26)14(3)20(27)23(18)35-22-16(24(30)33-5)11-15(28)12-17(22)32-4/h11-13,28-29H,6-10H2,1-5H3/t13-/m0/s1
InChIKey YPFKXMHKWMJZBF-ZDUSSCGKSA-N
SMILES ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C(=C1C)Cl)C(=O)OCCCC[C@H](CC)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 3-methylpentyl-2, 4-dichloroasterrate (CHEBI:220508) is a aromatic ether (CHEBI:35618)
IUPAC Name
5-methylheptyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual Xref Database
78435822 ChemSpider
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