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CHEBI:81070 - Isobutylshikonin

ChEBI IDCHEBI:81070
ChEBI NameIsobutylshikonin
Stars
Last Modified9 June 2016
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESCC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1
InChIKeyBVRYLTBIGIAADD-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
Isobutylshikonin (CHEBI:81070) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Synonym  Source
IsobutyrylshikoninKEGG COMPOUND
Manual XrefsDatabases
C17414KEGG COMPOUND