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CHEBI:228115 - Wailupemycin I

ChEBI IDCHEBI:228115
ChEBI NameWailupemycin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H30O11
Net Charge0
Average Mass722.702
Monoisotopic Mass722.17881
SMILESO=C1C[C@](O)(c2ccccc2)[C@H](c2cc(O)c(Cc3c(O)cc(-c4c(-c5ccccc5)cc(O)c5c(O)cccc45)oc3=O)c(=O)o2)c2cccc(O)c21
InChIInChI=1S/C43H30O11/c44-29-15-7-13-24-37(26(18-33(48)38(24)29)22-9-3-1-4-10-22)35-19-31(46)27(41(50)53-35)17-28-32(47)20-36(54-42(28)51)40-25-14-8-16-30(45)39(25)34(49)21-43(40,52)23-11-5-2-6-12-23/h1-16,18-20,40,44-48,52H,17,21H2/t40-,43-/m0/s1
InChIKeyQHYKKBSQYKEHSK-NWFICIJOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies OUCMDZ-3434 (ncbitaxon:1535304) - PubMed (26822662)
ChEBI Ontology
Outgoing Relation(s)
Wailupemycin I (CHEBI:228115) is a benzenes (CHEBI:22712)
Wailupemycin I (CHEBI:228115) is a naphthalenes (CHEBI:25477)
Wailupemycin I (CHEBI:228115) is a ring assembly (CHEBI:36820)
IUPAC Name 
6-[(1R,2R)-2,5-dihydroxy-4-oxo-2-phenyl-1,3-dihydronaphthalen-1-yl]-3-[[6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-hydroxy-2-oxopyran-3-yl]methyl]-4-hydroxypyran-2-one
Manual XrefsDatabases
58196594ChemSpider