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CHEBI:198036 - Phaeosphaerin C

ChEBI IDCHEBI:198036
ChEBI NamePhaeosphaerin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O10
Net Charge0
Average Mass548.544
Monoisotopic Mass548.16825
SMILESCOc1c2c3c4c5c(c(=O)cc(OC)c5c5c(OC)cc(=O)c(c1O)c35)=C(O)[C@@H](OC)[C@]4(CC(C)O)[C@@H]2C(C)=O
InChIInChI=1S/C30H28O10/c1-10(31)9-30-24(11(2)32)23-22-20-16(26(35)28(23)39-5)12(33)7-14(37-3)18(20)19-15(38-4)8-13(34)17(21(19)25(22)30)27(36)29(30)40-6/h7-8,10,24,29,31,35-36H,9H2,1-6H3/t10?,24-,29-,30-/m1/s1
InChIKeyQKTMSQABFALFDG-HTKIONCRSA-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 C (CHEBI:198036) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(12S,13R,14S)-12-acetyl-9,15-dihydroxy-13-(2-hydroxypropyl)-5,10,14,19-tetramethoxyhexacyclo[11.8.0.02,11.03,8.04,20.016,21]henicosa-1(21),2(11),3(8),4(20),5,9,15,18-octaene-7,17-dione
Manual XrefsDatabases
78436309ChemSpider