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CHEBI:227398 - Clostrubin B

ChEBI IDCHEBI:227398
ChEBI NameClostrubin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O11
Net Charge0
Average Mass576.554
Monoisotopic Mass576.16316
SMILESCOCC(O)C(O)C(O)C(O)=c1c(C)cc2c(c(O)c3c(=O)cc(C)c4c5ccc(=C(C)O)c(=O)c5c(O)c2c34)c1=O
InChIInChI=1S/C31H28O11/c1-10-7-15-20-24-18(14-6-5-13(12(3)32)25(35)21(14)28(20)38)11(2)8-16(33)23(24)29(39)22(15)27(37)19(10)30(40)31(41)26(36)17(34)9-42-4/h5-8,17,26,31-32,34,36,38-41H,9H2,1-4H3
InChIKeyILBUMWPMBSLENO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Clostridium puniceum (ncbitaxon:29367) - PubMed (26542569)
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)
Clostrubin B (CHEBI:227398) is a phenanthrol (CHEBI:25962)
IUPAC Name 
8,20-dihydroxy-17-(1-hydroxyethylidene)-4,12-dimethyl-5-(1,2,3,4-tetrahydroxy-5-methoxypentylidene)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,3,7,9(21),11,13,15,19-octaene-6,10,18-trione
Manual XrefsDatabases
78444524ChemSpider