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CHEBI:199175 - Sch-47555

ChEBI IDCHEBI:199175
ChEBI NameSch-47555
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42O13
Net Charge0
Average Mass694.730
Monoisotopic Mass694.26254
SMILESCC1OC(O[C@@]2(C)CC(=O)[C@]3(O)C4=C(C=C[C@]3(O)C2)C(=O)c2c(ccc(C3CCC(OC5CCC(O)C(C)O5)C(C)O3)c2O)C4=O)C=CC1=O
InChIInChI=1S/C37H42O13/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/h5-6,8,12-14,17-19,23,25-26,28-29,38,41,44-45H,7,9-11,15-16H2,1-4H3/t17?,18?,19?,23?,25?,26?,28?,29?,35-,36-,37-/m0/s1
InChIKeyMCDSLJCOWVFKEL-YBKKMURLSA-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-47555 (CHEBI:199175) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
109400ChemSpider