CHEBI:197021 - Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside

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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 Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
ChEBI ID CHEBI:197021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H40O14
Net Charge 0
Average Mass 660.669
Monoisotopic Mass 660.24181
InChI InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14?,15?,22-,23-,25?,26?,27-,31-,32-,33-/m0/s1
InChIKey TVBJKPLTBPGHDJ-BJHUNLLKSA-N
SMILES O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
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 Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:197021) is a flavonoids (CHEBI:72544)
Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:197021) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
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24844734 ChemSpider
LMPK12112007 LIPID MAPS
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