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CHEBI:227644 - Difluostatin A

ChEBI IDCHEBI:227644
ChEBI NameDifluostatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H22O9
Net Charge0
Average Mass598.563
Monoisotopic Mass598.12638
SMILESCc1cc(O)c2c3c(c(O)c([C@@H]4c5c(cc(O)c6c5C(=O)c5cccc(O)c5-6)C(=O)[C@@]5(C)O[C@@H]45)c2c1)-c1c(O)cccc1C3=O
InChIInChI=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
InChIKeyMSLRDZDDYDCKDD-BHQPUTRGSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (26465097)
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
40256698ChemSpider