(Q110177729)

English

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,1R)-1-hydroxy-3-[(1S,2S,4R)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]prop-2-enoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

720.284064696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₁₈

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canonical SMILES

O=C(OCC1(O)COC(OCC2OC(OC(O)C=CC3(O)C(O)(C)CC(O)CC3(C)C)C(O)C(O)C2O)C1O)C4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](O[C@@H](O)/C=C/[C@]4(O)C(C)(C)C[C@@H](O)C[C@]4(C)O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc(OC)c1O

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found in taxon

Erycibe hainanensis

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stated in

Hepatoprotective constituents from the roots and stems of Erycibe hainanesis

Identifiers

InChI

InChI=1S/C32H48O18/c1-29(2)10-16(33)11-30(3,41)32(29,43)7-6-20(34)50-27-24(38)23(37)22(36)19(49-27)12-46-28-25(39)31(42,14-48-28)13-47-26(40)15-8-17(44-4)21(35)18(9-15)45-5/h6-9,16,19-20,22-25,27-28,33-39,41-43H,10-14H2,1-5H3/b7-6+/t16-,19-,20-,22-,23+,24-,25+,27+,28-,30+,31-,32+/m1/s1

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InChIKey

HIXHWDKNWGUXAM-HYAOOOKWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HIXHWDKNWGUXAM-HYAOOOKWSA-N

1 reference

(Q110177729)

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,1R)-1-hydroxy-3-[(1S,2S,4R)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]prop-2-enoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

Statements

Identifiers

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