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CHEBI:215417 - Xylarugosin

ChEBI IDCHEBI:215417
ChEBI NameXylarugosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O7
Net Charge0
Average Mass412.438
Monoisotopic Mass412.15220
SMILESCOc1cc(O)cc(C(=O)c2c(O)cc(C)c3c2O[C@@]2(C)OC[C@H](C)[C@H]2C3)c1C=O
InChIInChI=1S/C23H24O7/c1-11-5-18(26)20(21(27)15-6-13(25)7-19(28-4)16(15)9-24)22-14(11)8-17-12(2)10-29-23(17,3)30-22/h5-7,9,12,17,25-26H,8,10H2,1-4H3/t12-,17+,23+/m0/s1
InChIKeyCCRDXZGFEZQDRL-QHLKIINSSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - DOI (10.1016/j.tetlet.2014.12.120)
ChEBI Ontology
Outgoing Relation(s)
Xylarugosin (CHEBI:215417) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-[(3R,3aR,9aR)-7-hydroxy-3,5,9a-trimethyl-2,3,3a,4-tetrahydrouro[2,3-b]chromene-8-carbonyl]-4-hydroxy-6-methoxybenzaldehyde