CHEBI:227644 - Difluostatin 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 Difluostatin A
ChEBI ID CHEBI:227644
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H22O9
Net Charge 0
Average Mass 598.563
Monoisotopic Mass 598.12638
InChI InChI=1S/C36H22O9/c1-12-9-15-23(19(39)10-12)27-28(22-14(31(27)41)6-4-8-18(22)38)33(43)25(15)30-24-16(34(44)36(2)35(30)45-36)11-20(40)26-21-13(32(42)29(24)26)5-3-7-17(21)37/h3-11,30,35,37-40,43H,1-2H3/t30-,35-,36+/m0/s1
InChIKey MSLRDZDDYDCKDD-BHQPUTRGSA-N
SMILES O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](C5=C(O)C6=C(C(=O)C=7C6=C(O)C=CC7)C=8C5=CC(C)=CC8O)[C@H]9[C@@]1(O9)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 Difluostatin A (CHEBI:227644) is a fluorenes (CHEBI:24059)
IUPAC Name
(3S,4S,6S)-10,13-dihydroxy-6-methyl-3-(1,6,7-trihydroxy-3-methyl-11-oxobenzo[a]luoren-5-yl)-5-oxapentacyclo[9.7.0.02,8.04,6.012,17]octadeca-1,8,10,12(17),13,15-hexaene-7,18-dione
Manual Xref Database
40256698 ChemSpider
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