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CHEBI:200681 - Rufoolivacin B

ChEBI IDCHEBI:200681
ChEBI NameRufoolivacin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O10
Net Charge0
Average Mass572.566
Monoisotopic Mass572.16825
SMILESCOc1cc(OC)c2c(O)c(C(C)=O)c(C)c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)C(=O)C=C(CO)C4=O)c2c1
InChIInChI=1S/C32H28O10/c1-13-23(14(2)34)31(37)25-18(8-16(39-3)10-21(25)41-5)24(13)27-19-9-17(40-4)11-22(42-6)26(19)32(38)28-20(35)7-15(12-33)30(36)29(27)28/h7-11,33,37-38H,12H2,1-6H3
InChIKeyRUAUPUXZRWBHLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Calonarius rufo-olivaceus (ncbitaxon:222049) - DOI (10.1016/j.cclet.2009.05.021)
ChEBI Ontology
Outgoing Relation(s)
Rufoolivacin B (CHEBI:200681) is a lignan (CHEBI:25036)
IUPAC Name 
9-(3-acetyl-4-hydroxy-5,7-dimethoxy-2-methylnaphthalen-1-yl)-10-hydroxy-2-(hydroxymethyl)-5,7-dimethoxyanthracene-1,4-dione
Manual XrefsDatabases
78434672ChemSpider