CHEBI:181150 - [4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate

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ChEBI Name [4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate
ChEBI ID CHEBI:181150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H36O17
Net Charge 0
Average Mass 704.634
Monoisotopic Mass 704.19525
InChI InChI=1S/C33H36O17/c1-13(35)45-23-12-44-31(32(47-15(3)37)29(23)46-14(2)36)25-19(39)10-21-24(30(25)43-4)18(38)9-20(49-21)16-5-7-17(8-6-16)48-33-28(42)27(41)26(40)22(11-34)50-33/h5-10,22-23,26-29,31-34,39-42H,11-12H2,1-4H3
InChIKey UPTPSJJNEWBOBD-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1)C2=C(OC)C3=C(OC(=CC3=O)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O
ChEBI Ontology
Outgoing [4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate (CHEBI:181150) is a flavonoids (CHEBI:72544)
[4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate (CHEBI:181150) is a glycoside (CHEBI:24400)
IUPAC Name
[4,5-diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate
Manual Xref Database
22370138 ChemSpider
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