CHEBI:196411 - Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)

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ChEBI Name Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)
ChEBI ID CHEBI:196411
Stars This entity has been manually annotated by a third party.
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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)33(47)50-31-29(45)27(43)22(11-48-32(46)14-8-20(39)26(42)21(40)9-14)49-30(31)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 KLKOBSQIPPYKDT-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1COC(=O)C3=CC(O)=C(O)C(O)=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''-p-hydroxybenzoyl-6''-galloyl-glucoside) (CHEBI:196411) is a glycoside (CHEBI:24400)
IUPAC Name
[6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4-dihydroxy-5-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual Xrefs Databases
35013696 ChemSpider
HMDB0034068 HMDB
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