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CHEBI:214675 - Spiropreubetaione B

ChEBI IDCHEBI:214675
ChEBI NameSpiropreubetaione B
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SubmitterMetaboLights
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FormulaC29H16O6
Net Charge0
Average Mass460.441
Monoisotopic Mass460.09469
SMILESO=C1C=Cc2cc3c(c4ccc(O)c1c24)C1(Oc2cccc4cccc(c24)O1)C1C(=O)C=CC31O
InChIInChI=1S/C29H16O6/c30-18-9-7-15-13-17-26(16-8-10-19(31)25(18)23(15)16)29(27-20(32)11-12-28(17,27)33)34-21-5-1-3-14-4-2-6-22(35-29)24(14)21/h1-13,27,31,33H
InChIKeyFILDGUAQQYKJCM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Preussiaspecies (in: ascomycete fungi) (ncbitaxon:1715257) - PubMed (19708679)
ChEBI Ontology
Outgoing Relation(s)
Spiropreubetaione B (CHEBI:214675) is a ortho- and peri-fused tricyclic hydrocarbon (CHEBI:51120)
IUPAC Name 
8',16'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,3'-pentacyclo[9.7.1.02,9.04,8.015,19]nonadeca-1(19),2(9),6,10,12,15,17-heptaene]-5',14'-dione
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24653631ChemSpider