(Q105346589)

English

methyl (4R,5R,6S)-6-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-5-ethenyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 6-[2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethyl]-5-ethenyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

550.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₂

0 references

canonical SMILES

O=C(OCCC1C(=CCC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC)C=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

C=C[C@@H]1[C@H](CCOC(=O)/C=C/c2ccc(O)c(O)c2)C(C(=O)OC)=CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Sinoadina racemosa

1 reference

stated in

Six secoiridoid glucosides from Adina racemosa

Identifiers

InChI

InChI=1S/C27H34O12/c1-3-15-16(10-11-37-22(31)9-5-14-4-7-18(29)19(30)12-14)17(26(35)36-2)6-8-20(15)38-27-25(34)24(33)23(32)21(13-28)39-27/h3-7,9,12,15-16,20-21,23-25,27-30,32-34H,1,8,10-11,13H2,2H3/b9-5+/t15-,16+,20-,21-,23-,24+,25-,27-/m1/s1

0 references

InChIKey

YCXZRYPACPFHPG-HJHFLEDDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCXZRYPACPFHPG-HJHFLEDDSA-N

(Q105346589)

methyl (4R,5R,6S)-6-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-5-ethenyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

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Identifiers

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