EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224022 - Penidicitrinin B

ChEBI IDCHEBI:224022
ChEBI NamePenidicitrinin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCc1c([C@H](C)[C@@H](C)O)cc(O)c([C@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(O)c32)c1O
InChIInChI=1S/C23H30O6/c1-9(13(5)24)15-7-17(26)21(22(28)11(15)3)23-20-18(27)8-16(25)12(4)19(20)10(2)14(6)29-23/h7-10,13-14,23-28H,1-6H3/t9-,10-,13-,14-,23+/m1/s1
InChIKeyZYNVVEVIXKFNEJ-JCCUDNOASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201000051)
ChEBI Ontology
Outgoing Relation(s)
Penidicitrinin B (CHEBI:224022) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,3R,4S)-1-[2,6-dihydroxy-4-[(2S,3R)-3-hydroxybutan-2-yl]-3-methylphenyl]-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-6,8-diol
Manual XrefsDatabases
75583486ChemSpider