CHEBI:190868 - Camellianin A

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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 Camellianin A
ChEBI ID CHEBI:190868
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O15
Net Charge 0
Average Mass 620.560
Monoisotopic Mass 620.17412
InChI InChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1
InChIKey RHJULGLSOARXMO-YXRGHUGASA-N
SMILES O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1COC(=O)C)OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Camellianin A (CHEBI:190868) is a flavonoids (CHEBI:72544)
Camellianin A (CHEBI:190868) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Manual Xref Database
4589325 ChemSpider
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Registry Number Type Source
109232-77-1 CAS Registry Number ChemIDplus