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CHEBI:221920 - PI-083

ChEBI IDCHEBI:221920
ChEBI NamePI-083
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H50O16
Net Charge0
Average Mass822.857
Monoisotopic Mass822.30989
SMILESCC1OC(OC2CCC(O[C@@]3(C)CC(=O)[C@@]4(O)C5=C(C=C[C@]4(O)C3)C(=O)c3c(ccc(C4C[C@H]6O[C@H]7C[C@@H](O)[C@H](C)OC7O[C@@H]6[C@@H](C)O4)c3O)C5=O)OC2C)C=CC1=O
InChIInChI=1S/C43H50O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-8,10,12-13,18-21,26-30,32-33,39-40,45,47,50-51H,9,11,14-17H2,1-5H3/t18?,19-,20?,21+,26+,27?,28?,29+,30-,32?,33?,39+,40?,41-,42-,43+/m0/s1
InChIKeyRILCLFZXOSENQY-RNKDTFIVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3209483)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
PI-083 (CHEBI:221920) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bR)-4a,8,12b-trihydroxy-9-[(1R,5S,6R,8S,10R,14R)-6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78445717ChemSpider