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CHEBI:212497 - Sch-47554

ChEBI IDCHEBI:212497
ChEBI NameSch-47554
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O13
Net Charge0
Average Mass690.698
Monoisotopic Mass690.23124
SMILESCC1OC(OC2CCC(c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)C[C@](C)(OC5C=CC(=O)C(C)O5)C[C@@]4(O)C=C3)OC2C)C=CC1=O
InChIInChI=1S/C37H38O13/c1-17-23(38)7-11-28(47-17)49-25-9-10-26(46-19(25)3)20-5-6-21-30(32(20)41)33(42)22-13-14-36(44)16-35(4,50-29-12-8-24(39)18(2)48-29)15-27(40)37(36,45)31(22)34(21)43/h5-8,11-14,17-19,25-26,28-29,41,44-45H,9-10,15-16H2,1-4H3/t17?,18?,19?,25?,26?,28?,29?,35-,36-,37-/m0/s1
InChIKeyFPIKGAFXXMSOSP-LAIUBXKZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (8514642)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Sch-47554 (CHEBI:212497) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-methyl-9-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
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