CHEBI:187059 - Luteolin 7-gentiobioside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Luteolin 7-gentiobioside
ChEBI ID CHEBI:187059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O16
Net Charge 0
Average Mass 610.521
Monoisotopic Mass 610.15338
InChI InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21+,22-,23-,24?,25?,26+,27+/m0/s1
InChIKey LDTDRTSKWGQBAA-XMSKAULVSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Luteolin 7-gentiobioside (CHEBI:187059) is a flavonoids (CHEBI:72544)
Luteolin 7-gentiobioside (CHEBI:187059) is a glycoside (CHEBI:24400)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24843690 ChemSpider
LMPK12110660 LIPID MAPS
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