CHEBI:204120 - Fluostatin J

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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 Fluostatin J
ChEBI ID CHEBI:204120
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H20O7
Net Charge 0
Average Mass 408.406
Monoisotopic Mass 408.12090
InChI InChI=1S/C23H20O7/c1-4-9(2)22(28)29-19-15-11(20(27)23(3)21(19)30-23)8-13(25)16-14-10(18(26)17(15)16)6-5-7-12(14)24/h5-9,19,21,24-25H,4H2,1-3H3/t9?,19-,21+,23-/m1/s1
InChIKey ILZBYZQNJIYYNP-TUWFYMLYSA-N
SMILES O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](OC(=O)C(CC)C)[C@H]5[C@@]1(O5)C
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via fluorenes )
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ChEBI Ontology
Outgoing Fluostatin J (CHEBI:204120) is a fluorenes (CHEBI:24059)
IUPAC Name
[(3R,4S,6S)-10,13-dihydroxy-6-methyl-7,18-dioxo-5-oxapentacyclo[9.7.0.02,8.04,6.012,17]octadeca-1,8,10,12(17),13,15-hexaen-3-yl] 2-methylbutanoate
Manual Xref Database
28643190 ChemSpider
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