CHEBI:197043 - Laricitrin 3-rutinoside

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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 Laricitrin 3-rutinoside
ChEBI ID CHEBI:197043
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O17
Net Charge 0
Average Mass 640.547
Monoisotopic Mass 640.16395
InChI InChI=1S/C28H32O17/c1-8-17(32)21(36)23(38)27(42-8)41-7-15-19(34)22(37)24(39)28(44-15)45-26-20(35)16-11(30)5-10(29)6-13(16)43-25(26)9-3-12(31)18(33)14(4-9)40-2/h3-6,8,15,17,19,21-24,27-34,36-39H,7H2,1-2H3/t8?,15?,17-,19+,21-,22?,23?,24?,27+,28-/m0/s1
InChIKey IEPKWJCBNGNVDF-VZIOTDLESA-N
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)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 Laricitrin 3-rutinoside (CHEBI:197043) is a flavonoids (CHEBI:72544)
Laricitrin 3-rutinoside (CHEBI:197043) is a glycoside (CHEBI:24400)
IUPAC Name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24845160 ChemSpider
LMPK12112472 LIPID MAPS
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