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CHEBI:226038 - Phaeosphaerin B

ChEBI IDCHEBI:226038
ChEBI NamePhaeosphaerin B
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@@H](OC)[C@@]41C[C@H](C)O[C@@]21C(C)=O
InChIInChI=1S/C30H26O10/c1-10-9-29-23-21-17(26(35)28(29)39-6)13(33)8-15(37-4)19(21)18-14(36-3)7-12(32)16-20(18)22(23)24(27(38-5)25(16)34)30(29,40-10)11(2)31/h7-8,10,28,34-35H,9H2,1-6H3/t10-,28+,29+,30-/m0/s1
InChIKeyPBRJZUIAKJICQX-BGUSSPSCSA-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 B (CHEBI:226038) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(1R,3S,5R,24S)-5-acetyl-8,23-dihydroxy-7,12,19,24-tetramethoxy-3-methyl-4-oxaheptacyclo[14.8.0.01,5.06,15.09,14.013,18.017,22]tetracosa-6(15),7,9(14),11,13(18),16,19,22-octaene-10,21-dione
Manual XrefsDatabases
78438329ChemSpider