EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224063 - Phaeosphaerin E

ChEBI IDCHEBI:224063
ChEBI NamePhaeosphaerin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O11
Net Charge0
Average Mass562.527
Monoisotopic Mass562.14751
SMILESCOc1c2c3c4c5c(c(=O)cc(OC)c5c5c(OC)cc(=O)c(c1O)c35)=C(O)[C@H](OC)[C@]41C[C@H](C)O[C@@]2(C(C)=O)O1
InChIInChI=1S/C30H26O11/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(40-10,41-29)11(2)31/h7-8,10,28,34-35H,9H2,1-6H3/t10-,28-,29-,30-/m0/s1
InChIKeyLOLQXQJJVXNMQZ-CYGBTTJPSA-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 E (CHEBI:224063) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(1S,2S,21R,23S)-21-acetyl-3,18-dihydroxy-2,7,14,19-tetramethoxy-23-methyl-22,25-dioxaheptacyclo[19.3.1.01,10.04,9.08,13.011,20.012,17]pentacosa-3,6,8(13),9,11(20),12(17),14,18-octaene-5,16-dione
Manual XrefsDatabases
78437738ChemSpider