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CHEBI:204468 - Phaeosphaerin A

ChEBI IDCHEBI:204468
ChEBI NamePhaeosphaerin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESCOc1c2c3c4c5c(c(=O)cc(OC)c5c5c(OC)cc(=O)c(c1O)c35)=C(O)[C@@]1(OC)O[C@@H](C)C[C@@]41[C@H]2C(C)=O
InChIInChI=1S/C30H26O10/c1-10-9-29-24(11(2)31)23-22-20-16(26(34)27(23)38-5)12(32)7-14(36-3)18(20)19-15(37-4)8-13(33)17(21(19)25(22)29)28(35)30(29,39-6)40-10/h7-8,10,24,34-35H,9H2,1-6H3/t10-,24-,29+,30+/m0/s1
InChIKeyAFOACYDTOFSVOR-UWSPMFCQSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeriaspecies (ncbitaxon:1715242) - PubMed (22276650)
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)
Phaeosphaerin A (CHEBI:204468) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(1R,2S,21S,23S)-2-acetyl-5,20-dihydroxy-4,9,16,21-tetramethoxy-23-methyl-22-oxaheptacyclo[11.11.0.01,21.03,12.06,11.010,15.014,19]tetracosa-3(12),4,6(11),8,10(15),13,16,19-octaene-7,18-dione
Manual XrefsDatabases
78437145ChemSpider