CHEBI:197202 - Chalconaringenin 2'-O-glucoside 4'-O-gentobioside

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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 Chalconaringenin 2'-O-glucoside 4'-O-gentobioside
ChEBI ID CHEBI:197202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H42O20
Net Charge 0
Average Mass 758.679
Monoisotopic Mass 758.22694
InChI InChI=1S/C33H42O20/c34-9-18-22(39)25(42)28(45)31(51-18)48-11-20-24(41)27(44)29(46)32(53-20)49-14-7-16(38)21(15(37)6-3-12-1-4-13(36)5-2-12)17(8-14)50-33-30(47)26(43)23(40)19(10-35)52-33/h1-8,18-20,22-36,38-47H,9-11H2/b6-3+/t18?,19?,20?,22-,23-,24-,25+,26+,27+,28?,29?,30?,31-,32-,33-/m1/s1
InChIKey VTFGBUPKGZVIHW-IAVAKCGNSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)C(=C(O)C2)C(=O)/C=C/C4=CC=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing Chalconaringenin 2'-O-glucoside 4'-O-gentobioside (CHEBI:197202) is a flavonoids (CHEBI:72544)
Chalconaringenin 2'-O-glucoside 4'-O-gentobioside (CHEBI:197202) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual Xrefs Databases
24845978 ChemSpider
LMPK12120255 LIPID MAPS
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