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CHEBI:200781 - Emerixanthone B

ChEBI IDCHEBI:200781
ChEBI NameEmerixanthone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O6
Net Charge0
Average Mass422.477
Monoisotopic Mass422.17294
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(=C)C)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C25H26O6/c1-11(2)15-10-30-24-13(5)8-18-20(21(24)22(15)28)23(29)19-16(26)7-6-14(25(19)31-18)9-17(27)12(3)4/h6-8,15,17,22,26-28H,1,3,9-10H2,2,4-5H3/t15-,17+,22-/m1/s1
InChIKeyFWZVIXCVUFFFJG-ULYRPOKDSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO 05240 (ncbitaxon:1505926) - PubMed (24879543)
ChEBI Ontology
Outgoing Relation(s)
Emerixanthone B (CHEBI:200781) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-1,11-dihydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
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32675152ChemSpider