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CHEBI:199106 - Rubiginone H

ChEBI IDCHEBI:199106
ChEBI NameRubiginone H
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SubmitterMetaboLights
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FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESCOc1cccc2c1C(c1ccc3c(c1O)C(=O)[C@@H](O)[C@@H](C)[C@H]3OC(C)=O)OC2=O
InChIInChI=1S/C22H20O8/c1-9-17(24)19(26)16-11(20(9)29-10(2)23)7-8-13(18(16)25)21-15-12(22(27)30-21)5-4-6-14(15)28-3/h4-9,17,20-21,24-25H,1-3H3/t9-,17+,20-,21?/m1/s1
InChIKeyKDPCFCCEKYXANB-HKNMVRRESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10866213)
ChEBI Ontology
Outgoing Relation(s)
Rubiginone H (CHEBI:199106) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(1R,2R,3S)-3,5-dihydroxy-6-(7-methoxy-3-oxo-1H-2-benzouran-1-yl)-2-methyl-4-oxo-2,3-dihydro-1H-naphthalen-1-yl] acetate
Manual XrefsDatabases
8494924ChemSpider