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CHEBI:202040 - Shikometabolin A

ChEBI IDCHEBI:202040
ChEBI NameShikometabolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O9
Net Charge0
Average Mass556.567
Monoisotopic Mass556.17333
SMILESCC(C)=CCc1c2c(O)c3c(O)ccc(=O)c3c(O)c2c2c(O)c3c(=O)c([C@H](O)CC=C(C)C)cc(=O)c3c(O)c12
InChIInChI=1S/C32H28O9/c1-12(2)5-7-14-20-25(31(40)23-18(35)10-9-17(34)22(23)29(20)38)26-21(14)30(39)24-19(36)11-15(16(33)8-6-13(3)4)28(37)27(24)32(26)41/h5-6,9-11,16,33-34,38-41H,7-8H2,1-4H3/t16-/m1/s1
InChIKeyGZLGDGNAPRORBA-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Bacteroides (ncbitaxon:816) - DOI (10.1016/s0040-4039(00)75844-8)
ChEBI Ontology
Outgoing Relation(s)
Shikometabolin A (CHEBI:202040) is a naphthols (CHEBI:25392)