CHEBI:217327 - Chrysine D

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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 Chrysine D
ChEBI ID CHEBI:217327
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H17ClO8
Net Charge 0
Average Mass 396.780
Monoisotopic Mass 396.06120
InChI InChI=1S/C18H17ClO8/c1-8-5-11(20)13(18(23)26-4)16(14(8)19)27-15-10(17(21)22)6-9(24-2)7-12(15)25-3/h5-7,20H,1-4H3,(H,21,22)
InChIKey VYXACYPGPFEMTM-UHFFFAOYSA-N
SMILES ClC1=C(OC2=C(OC)C=C(OC)C=C2C(=O)O)C(=C(O)C=C1C)C(=O)OC
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Chrysine D (CHEBI:217327) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-(2-chloro-5-hydroxy-6-methoxycarbonyl-3-methylphenoxy)-3,5-dimethoxybenzoic acid
Manual Xref Database
65790994 ChemSpider
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