CHEBI:227750 - [(1R,3R,4R,5R,6R,7R,10R,13R)-7-chloro-6-hydroxy-10-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.4.0.01,13.03,8]tetradec-8-en-5-yl] acetate

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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 [(1R,3R,4R,5R,6R,7R,10R,13R)-7-chloro-6-hydroxy-10-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.4.0.01,13.03,8]tetradec-8-en-5-yl] acetate
ChEBI ID CHEBI:227750
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25ClO6
Net Charge 0
Average Mass 372.840
Monoisotopic Mass 372.13397
InChI InChI=1S/C18H25ClO6/c1-9-14(24-10(2)20)13(21)12(19)11-6-18(22-5)17(7-15(9,11)3)16(4,25-17)8-23-18/h6,9,12-14,21H,7-8H2,1-5H3/t9-,12+,13-,14+,15+,16+,17+,18+/m0/s1
InChIKey OATSAFJJXLRNTB-ZLPPOCBDSA-N
SMILES Cl[C@@H]1C2=C[C@]3(OC[C@@]4([C@]3(O4)C[C@@]2([C@@H](C)[C@H]([C@H]1O)OC(=O)C)C)C)OC
Metabolite of Species Details
Penicilliumspecies PR19N-1 (NCBI:txid1327757) See: PubMed
ChEBI Ontology
Outgoing [(1R,3R,4R,5R,6R,7R,10R,13R)-7-chloro-6-hydroxy-10-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.4.0.01,13.03,8]tetradec-8-en-5-yl] acetate (CHEBI:227750) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(1R,3R,4R,5R,6R,7R,10R,13R)-7-chloro-6-hydroxy-10-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.4.0.01,13.03,8]tetradec-8-en-5-yl] acetate
Manual Xref Database
30771123 ChemSpider
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