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CHEBI:177990 - 3''-O-Caffeoylcosmosiin

ChEBI IDCHEBI:177990
ChEBI Name3''-O-Caffeoylcosmosiin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C1O
InChIInChI=1S/C30H26O13/c31-13-24-27(38)29(43-25(37)8-2-14-1-7-18(33)19(34)9-14)28(39)30(42-24)40-17-10-20(35)26-21(36)12-22(41-23(26)11-17)15-3-5-16(32)6-4-15/h1-12,24,27-35,38-39H,13H2/b8-2+
InChIKeyGKSHQQDCYIESFY-KRXBUXKQSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
3''-O-Caffeoylcosmosiin (CHEBI:177990) is a flavonoids (CHEBI:72544)
3''-O-Caffeoylcosmosiin (CHEBI:177990) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0037345HMDB