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CHEBI:198007 - Bisordariol B

ChEBI IDCHEBI:198007
ChEBI NameBisordariol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCOCc1c(O)ccc(Cc2c(O)cccc2/C=C/[C@@H](O)[C@H](C)O)c1/C=C/[C@@H](O)[C@H](C)O
InChIInChI=1S/C25H32O7/c1-15(26)22(28)10-7-17-5-4-6-24(30)20(17)13-18-8-11-25(31)21(14-32-3)19(18)9-12-23(29)16(2)27/h4-12,15-16,22-23,26-31H,13-14H2,1-3H3/b10-7+,12-9+/t15-,16-,22+,23+/m0/s1
InChIKeyXPBZOXVPRZUJPE-BROUYUIBSA-N
Species of MetaboliteComponentSourceComments
Sordaria macrospora (ncbitaxon:5147) - DOI (10.1016/j.tetlet.2016.05.014)
ChEBI Ontology
Outgoing Relation(s)
Bisordariol B (CHEBI:198007) is a diarylmethane (CHEBI:51614)
IUPAC Name 
(E,2S,3R)-5-[2-[[2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-4-hydroxy-3-(methoxymethyl)phenyl]methyl]-3-hydroxyphenyl]pent-4-ene-2,3-diol
Manual XrefsDatabases
78436305ChemSpider