CHEBI:227264 - Pochonin C

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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 Pochonin C
ChEBI ID CHEBI:227264
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18Cl2O6
Net Charge 0
Average Mass 401.240
Monoisotopic Mass 400.04804
InChI InChI=1S/C18H18Cl2O6/c1-9-6-13(22)12(19)5-3-2-4-10(21)7-11-16(18(25)26-9)14(23)8-15(24)17(11)20/h2-5,8-9,12-13,22-24H,6-7H2,1H3/b4-2+,5-3-/t9-,12?,13-/m0/s1
InChIKey MQEXBOUTQRMRFJ-NOEJZYACSA-N
SMILES ClC1=C(O)C=C(O)C2=C1CC(=O)C=CC=CC([C@H](C[C@@H](OC2=O)C)O)Cl
Metabolite of Species Details
Pochonia (NCBI:txid243023) See: PubMed
ChEBI Ontology
Outgoing Pochonin C (CHEBI:227264) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,6S,8Z,10E)-7,15-dichloro-6,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),8,10,15,17-pentaene-2,12-dione
Manual Xref Database
4979978 ChemSpider
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