(Q105096207)

English

[(2R,3R,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₁H₃₈O₁₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

666.215985136 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₁₆

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(OC(=O)C)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

CC(=O)O[C@@H]1C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CO)O[C@H]1OCCc1ccc(O)c(O)c1

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found in taxon

Callicarpa kwangtungensis

1 reference

stated in

Isolation, identification and activities of natural antioxidants from Callicarpa kwangtungensis Chun

Identifiers

InChI

InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28?,29+,30-,31+/m0/s1

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InChIKey

ALERZNQPBWWLMW-TYPRTZONSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ALERZNQPBWWLMW-TYPRTZONSA-N

1 reference

(Q105096207)

[(2R,3R,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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