CHEBI:217887 - 2-chloro-cladosporol 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 2-chloro-cladosporol D
ChEBI ID CHEBI:217887
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H17ClO6
Net Charge 0
Average Mass 388.800
Monoisotopic Mass 388.07137
InChI InChI=1S/C20H17ClO6/c21-17-18(25)15-10(5-7-13(24)16(15)19(26)20(17)27)8-4-6-12(23)14-9(8)2-1-3-11(14)22/h1-3,5,7-8,17,19-20,22,24,26-27H,4,6H2/t8-,17-,19-,20+/m1/s1
InChIKey SMPZKKLHFUFDQT-WNEFXCTCSA-N
SMILES Cl[C@@H]1C(=O)C2=C(C(O)=CC=C2[C@H]3C4=C(C(O)=CC=C4)C(=O)CC3)[C@H]([C@H]1O)O
Metabolite of Species Details
Cladosporium (NCBI:txid5498) See: DOI
ChEBI Ontology
Outgoing 2-chloro-cladosporol D (CHEBI:217887) is a tetralins (CHEBI:36786)
IUPAC Name
(2S,3R,4R)-2-chloro-3,4,5-trihydroxy-8-[(1S)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-one
Manual Xref Database
78439412 ChemSpider
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