CHEBI:190023 - Nelumboside

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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 Nelumboside
ChEBI ID CHEBI:190023
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H28O18
Net Charge 0
Average Mass 640.503
Monoisotopic Mass 640.12756
InChI InChI=1S/C27H28O18/c28-6-13-15(33)17(35)19(37)26(42-13)44-23-18(36)20(38)27(45-24(23)25(39)40)43-22-16(34)14-11(32)4-8(29)5-12(14)41-21(22)7-1-2-9(30)10(31)3-7/h1-5,13,15,17-20,23-24,26-33,35-38H,6H2,(H,39,40)/t13-,15-,17+,18-,19-,20-,23+,24+,26+,27-/m1/s1
InChIKey RFPZGZUMXXMVEL-UBSYNHCDSA-N
SMILES O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C(O)=O)OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing Nelumboside (CHEBI:190023) is a flavonoids (CHEBI:72544)
Nelumboside (CHEBI:190023) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(2S,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Manual Xrefs Databases
30777256 ChemSpider
HMDB0038464 HMDB
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