EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184166 - Pyranocyanin A

ChEBI IDCHEBI:184166
ChEBI NamePyranocyanin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33O15
Net Charge+1
Average Mass633.579
Monoisotopic Mass633.18140
SMILESCc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc3cc(=[OH+])cc(o1)c32
InChIInChI=1S/C30H32O15/c1-10-5-14-20-17(41-10)7-13(31)8-18(20)43-27(12-3-4-15(32)16(33)6-12)28(14)45-30-26(39)24(37)22(35)19(44-30)9-40-29-25(38)23(36)21(34)11(2)42-29/h3-8,11,19,21-26,29-30,32-39H,9H2,1-2H3/p+1/t11-,19+,21-,22+,23+,24-,25+,26+,29+,30-/m0/s1
InChIKeyQJODZNXDGUGMJE-PILAWTQCSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
Pyranocyanin A (CHEBI:184166) is a flavonoids (CHEBI:72544)
Pyranocyanin A (CHEBI:184166) is a glycoside (CHEBI:24400)
IUPAC Name 
[3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium