CHEBI:189451 - Vitexin 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 Vitexin rhamnoside
ChEBI ID CHEBI:189451
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/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,24+,26-,27-/m0/s1
InChIKey ZIIBNXKQZAUBRD-VVZHCWMZSA-N
SMILES O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)C=C4)[H]
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing Vitexin rhamnoside (CHEBI:189451) is a flavonoids (CHEBI:72544)
Vitexin rhamnoside (CHEBI:189451) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
Manual Xref Database
4590019 ChemSpider
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Registry Number Type Source
32426-34-9 CAS Registry Number ChemIDplus