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CHEBI:213939 - Butyl xanalterate

ChEBI IDCHEBI:213939
ChEBI NameButyl xanalterate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O7
Net Charge0
Average Mass422.433
Monoisotopic Mass422.13655
SMILESCCCCOC(=O)[C@]1(O)Cc2c3c4c(c(O)ccc4c4ccc(O)c(c24)O1)C(=O)CC3
InChIInChI=1S/C24H22O7/c1-2-3-10-30-23(28)24(29)11-15-14-5-8-17(26)21-16(25)7-4-12(19(14)21)13-6-9-18(27)22(31-24)20(13)15/h4,6-7,9,25,27,29H,2-3,5,8,10-11H2,1H3/t24-/m0/s1
InChIKeyNAZJNVRQXMZSIG-DEOSSOPVSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (30110969)
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)
Butyl xanalterate (CHEBI:213939) is a phenanthrol (CHEBI:25962)
IUPAC Name 
butyl 4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14-heptaene-4-carboxylate
Manual XrefsDatabases
78435274ChemSpider