(Q105257079)

English

1-O-[2-(3,4-Dihydroxyphenyl)ethyl]-3-O-(2alpha,3alpha,4beta-trihydroxy-5alpha-methylcyclohexane-1beta-yl)-4-O-[3-(3,4-dihydroxyphenyl)acryloyl]-beta-D-glucopyranose

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkyl caffeate ester

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mass

622.226155896 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₁₄

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3CC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

C[C@@H]1C[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Ruellia tuberosa

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stated in

Chemical constituents from the leaves of Ruellia tuberosa

Identifiers

InChI

InChI=1S/C30H38O14/c1-14-10-21(25(38)26(39)24(14)37)42-29-27(40)30(41-9-8-16-3-6-18(33)20(35)12-16)43-22(13-31)28(29)44-23(36)7-4-15-2-5-17(32)19(34)11-15/h2-7,11-12,14,21-22,24-35,37-40H,8-10,13H2,1H3/b7-4+/t14-,21-,22-,24+,25+,26-,27-,28-,29-,30-/m1/s1

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InChIKey

SOOWAABBROYZHA-JKSZLVAJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SOOWAABBROYZHA-JKSZLVAJSA-N

1 reference

(Q105257079)

1-O-[2-(3,4-Dihydroxyphenyl)ethyl]-3-O-(2alpha,3alpha,4beta-trihydroxy-5alpha-methylcyclohexane-1beta-yl)-4-O-[3-(3,4-dihydroxyphenyl)acryloyl]-beta-D-glucopyranose

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Identifiers

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