CHEBI:196410 - Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)

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ChEBI Name Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)
ChEBI ID CHEBI:196410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C33H28O17
Net Charge 0
Average Mass 696.570
Monoisotopic Mass 696.13265
InChI InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)32(46)48-11-22-27(43)29(45)31(50-33(47)14-8-20(39)26(42)21(40)9-14)30(49-22)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2
InChIKey POUWJMQLFDEGQD-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1COC(=O)C3=CC=C(O)C=C3)C4=C(O)C(=C(O)C=C4O)C(=O)C5=CC(O)=C(O)C=C5
ChEBI Ontology
Outgoing Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside) (CHEBI:196410) is a glycoside (CHEBI:24400)
IUPAC Name
[2-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual Xrefs Databases
35013695 ChemSpider
HMDB0034067 HMDB
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