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CHEBI:166632 - Luteolin 7,3'-digalacturonide

ChEBI IDCHEBI:166632
ChEBI NameLuteolin 7,3'-digalacturonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O18
Net Charge0
Average Mass638.487
Monoisotopic Mass638.11191
SMILESO=C(O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O[C@@H]5OC(C(=O)O)[C@H](O)[C@H](O)C5O)c4)oc3c2)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H26O18/c28-9-2-1-7(3-13(9)43-27-21(36)17(32)19(34)23(45-27)25(39)40)12-6-11(30)15-10(29)4-8(5-14(15)42-12)41-26-20(35)16(31)18(33)22(44-26)24(37)38/h1-6,16-23,26-29,31-36H,(H,37,38)(H,39,40)/t16-,17-,18+,19+,20?,21?,22?,23?,26+,27+/m0/s1
InChIKeyOPANBGHBBMSMQC-LPAQUCEOSA-N
ChEBI Ontology
Outgoing Relation(s)
Luteolin 7,3'-digalacturonide (CHEBI:166632) is a flavonoids (CHEBI:72544)
Luteolin 7,3'-digalacturonide (CHEBI:166632) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3R,4S,6S)-6-[2-[3-[(2S,4S,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12110668LIPID MAPS
24843698ChemSpider