Summary

IMPPAT Phytochemical identifier: IMPHY003198

Phytochemical name: 6-[2-[4-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,6-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

Synonymous chemical names:
4-o-methyl-glucuronoxylan, l-fuco-4-o-methyl-d-glucurono-d-xylan

External chemical identifiers:
CID:3083252

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Chemical structure information

SMILES:
COC1C(OC(C(C1O)O)OC1C(OCC(C1O)O)OC1COC(C(C1OC1OCC(C(C1OC1OC(C)C(C(C1O)O)O)O)O)O)O)C(=O)O

InChI:
InChI=1S/C28H46O23/c1-6-10(31)13(34)15(36)25(46-6)49-21-12(33)8(30)4-45-28(21)48-18-9(5-43-24(41)17(18)38)47-27-20(11(32)7(29)3-44-27)50-26-16(37)14(35)19(42-2)22(51-26)23(39)40/h6-22,24-38,41H,3-5H2,1-2H3,(H,39,40)

InChIKey:
DZWSEVGKERHGEZ-UHFFFAOYSA-N

DeepSMILES:
COCCOCCC6O))O))OCCOCCC6O))O))))OCCOCCC6OCOCCCC6OCOCC)CCC6O))O))O)))))))O))O)))))))O))O)))))))))))C=O)O

Functional groups:
CC(=O)O, CO, COC, COC(C)O, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCOC2OC2CCOCC2OC2OCCCC2OC2CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCOC2OC2CCOCC2OC2OCCCC2OC2CCCCO2)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC2CC2CCCCC2CC2CCCCC2CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides, Polysaccharides

NP-Likeness score: 1.451

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Chemical structure download