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CHEBI:206195 - Isohypocrelline

ChEBI IDCHEBI:206195
ChEBI NameIsohypocrelline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESCOc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c(c(c1CC(C)(O)C6C(C)=O)c23)c54
InChIInChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,34-36H,9H2,1-6H3
InChIKeyVANSZAOQCMTTPB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Astrothelium sanguinarium (ncbitaxon:1930727) - DOI (10.1002/rcm.1290080109)
ChEBI Ontology
Outgoing Relation(s)
Isohypocrelline (CHEBI:206195) is a naphthalenone (CHEBI:25479)
IUPAC Name 
12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
Manual XrefsDatabases
HMDB0253310HMDB
3536ChemSpider