CHEBI:197001 - Apigenin 7-neohesperidoside

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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 Apigenin 7-neohesperidoside
ChEBI ID CHEBI:197001
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O14
Net Charge 0
Average Mass 578.523
Monoisotopic Mass 578.16356
InChI InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10?,18?,20-,21+,22-,23-,24?,25?,26-,27+/m0/s1
InChIKey RPMNUQRUHXIGHK-IFRYUKCBSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)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 Apigenin 7-neohesperidoside (CHEBI:197001) is a flavonoids (CHEBI:72544)
Apigenin 7-neohesperidoside (CHEBI:197001) is a glycoside (CHEBI:24400)
IUPAC Name
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
24843410 ChemSpider
LMPK12110356 LIPID MAPS
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