EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207727 - Penicitol D

ChEBI IDCHEBI:207727
ChEBI NamePenicitol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O7
Net Charge0
Average Mass428.481
Monoisotopic Mass428.18350
SMILESCc1c(O)c(C)c2c(c1O)C(=O)O[C@@](C)(Oc1cc(O)c3c(c1C)[C@@H](C)[C@H](C)OC3)C2
InChIInChI=1S/C24H28O7/c1-10-14(5)29-9-16-17(25)7-18(12(3)19(10)16)30-24(6)8-15-11(2)21(26)13(4)22(27)20(15)23(28)31-24/h7,10,14,25-27H,8-9H2,1-6H3/t10-,14-,24+/m0/s1
InChIKeyQNPFUVLURYJZBM-BGJCVAEFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30634700)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicitol D (CHEBI:207727) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-6,8-dihydroxy-3-[[(3S,4R)-8-hydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromen-6-yl]oxy]-3,5,7-trimethyl-4H-isochromen-1-one
Manual XrefsDatabases
71115944ChemSpider