(Q105181284)

English

(2R,3R,4S,5S,6R)-2-[[(2S,3S)-2-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[2-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

748.294235456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₁₆

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=C(OC)C=C(C=C2OC)C3OC4=C(OC)C=C(C=C4C3COC5OC(CO)C(O)C(O)C5O)CCCO)CO

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isomeric SMILES

COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O

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found in taxon

Alangium premnifolium

1 reference

stated in

Sesquiterpene glycosides and sesquilignan glycosides from stems of Alangium premnifolium

Identifiers

InChI

InChI=1S/C37H48O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h7-8,10-14,22,28-34,37-45H,5-6,9,15-17H2,1-4H3/t22-,28+,29-,30-,31-,32+,33-,34-,37-/m1/s1

0 references

InChIKey

NLDGSHLJCGHSMC-IZPLGQCGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NLDGSHLJCGHSMC-IZPLGQCGSA-N

(Q105181284)

(2R,3R,4S,5S,6R)-2-[[(2S,3S)-2-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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