CHEBI:199755 - Cyanosporaside A

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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 Cyanosporaside A
ChEBI ID CHEBI:199755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20ClNO6
Net Charge 0
Average Mass 417.840
Monoisotopic Mass 417.09792
InChI InChI=1S/C21H20ClNO6/c1-10-20(2,27)18(26)17(25)19(28-10)29-21-13(5-6-14(21)24)9-12-4-3-11(7-8-23)16(22)15(12)21/h3-6,9-10,14,17,19,24-25,27H,7H2,1-2H3/t10-,14+,17-,19+,20+,21+/m1/s1
InChIKey FMQYEPDNLFRUQP-LPYYISIISA-N
SMILES ClC1=C(C=CC2=C1[C@]3(O[C@@H]4O[C@@H]([C@@](O)(C)C([C@H]4O)=O)C)C(C=C[C@@H]3O)=C2)CC#N
Metabolite of Species Details
Salinispora pacifica (NCBI:txid351187) See: PubMed
ChEBI Ontology
Outgoing Cyanosporaside A (CHEBI:199755) is a indene (CHEBI:37910)
IUPAC Name
2-[(1S,8bR)-8-chloro-8b-[(2S,3S,5S,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxooxan-2-yl]oxy-1-hydroxy-1H-cyclopenta[a]inden-7-yl]acetonitrile
Manual Xref Database
9879136 ChemSpider
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