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CHEBI:223947 - Arenatin B

ChEBI IDCHEBI:223947
ChEBI NameArenatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O7
Net Charge0
Average Mass488.536
Monoisotopic Mass488.18350
SMILESC=C(C)[C@@H]1Cc2cc(OC/C=C(\C)CO)c(O)cc2C2=C1C(=O)C(c1ccc(O)cc1)=C(OC)C2=O
InChIInChI=1S/C29H28O7/c1-15(2)20-11-18-12-23(36-10-9-16(3)14-30)22(32)13-21(18)26-25(20)27(33)24(29(35-4)28(26)34)17-5-7-19(31)8-6-17/h5-9,12-13,20,30-32H,1,10-11,14H2,2-4H3/b16-9+/t20-/m0/s1
InChIKeyMSPQCCXMJFTOKB-ZYEUVFMNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus peyronelii (ncbitaxon:176177) - PubMed (9599285)
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)
Arenatin B (CHEBI:223947) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-2-(4-hydroxyphenyl)-3-methoxy-10-prop-1-en-2-yl-9,10-dihydrophenanthrene-1,4-dione
Manual XrefsDatabases
9973874ChemSpider