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CHEBI:215065 - Rubiginone I

ChEBI IDCHEBI:215065
ChEBI NameRubiginone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESCOc1cccc2c1C(O)C13C=CC4=C(C(=O)[C@@H](O)[C@@H](C)[C@H]4OC(C)=O)C1(O3)C2=O
InChIInChI=1S/C22H20O8/c1-9-16(24)17(25)15-12(18(9)29-10(2)23)7-8-21-20(27)14-11(5-4-6-13(14)28-3)19(26)22(15,21)30-21/h4-9,16,18,20,24,27H,1-3H3/t9-,16+,18-,20?,21?,22?/m1/s1
InChIKeyNONBUEJWSJNYAK-GHCOXSAKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (10866213)
ChEBI Ontology
Outgoing Relation(s)
Rubiginone I (CHEBI:215065) is a tetralins (CHEBI:36786)
IUPAC Name 
[(4S,5R,6R)-4,11-dihydroxy-13-methoxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),8,12(17),13,15-pentaen-6-yl] acetate
Manual XrefsDatabases
8494925ChemSpider