(Q105171442)

English

(2R,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

chemical compound

In more languages

Statements

type of chemical entity

0 references

Cyanidin 3-(2G-glucosylrutinoside)

1 reference

based on heuristic

inferred from SMILES

757.21857013209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₁O₂₀⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC5OC(CO)C(O)C(O)C5O)C(=[O+]C2C1)C=6C=CC(O)=C(O)C6

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isomeric SMILES

C[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O

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Acer buergerianum

1 reference

Cyanidin 3-(2″,3″-digalloylglucoside) from red leaves of Acer platanoides

1 reference

Cyanidin 3-(2″,3″-digalloylglucoside) from red leaves of Acer platanoides

Acer sieboldianum

1 reference

Cyanidin 3-(2″,3″-digalloylglucoside) from red leaves of Acer platanoides

1 reference

Cyanidin 3-(2-glucosylgalactoside) and other anthocyanins from fruits of Cornus suecica

Identifiers

InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1/t10-,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,30-,31-,32+,33+/m1/s1

0 references

MSUVUDCULKNUJL-RSIHWDCXSA-O

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

MSUVUDCULKNUJL-RSIHWDCXSA-O

UniChem compound ID

1 reference

Sitelinks

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