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CHEBI:198134 - Thelephantin B

Default Structure
ChEBI IDCHEBI:198134
ChEBI NameThelephantin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O9
Net Charge0
Average Mass544.556
Monoisotopic Mass544.17333
SMILESCCCCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C31H28O9/c1-2-3-4-5-24(35)39-29-25(18-6-12-21(32)13-7-18)28(37)30(40-31(38)20-10-16-23(34)17-11-20)26(27(29)36)19-8-14-22(33)15-9-19/h6-17,32-34,36-37H,2-5H2,1H3
InChIKeyPVJPNBBVZSBLLI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Thelephora aurantiotincta (ncbitaxon:654496) - DOI (10.1016/s0031-9422(02)00403-x)
ChEBI Ontology
Outgoing Relation(s)
Thelephantin B (CHEBI:198134) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[4-hexanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
Manual XrefsDatabases
4479545ChemSpider