(Q105263408)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

anthocyanidin

0 references

Cyanidin-3-O-sophoroside

1 reference

based on heuristic

inferred from SMILES

mass

611.16066133209 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cyanidin 3-O-sophoroside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₁O₁₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C(=[O+]C2C1)C=5C=CC(O)=C(O)C5

0 references

isomeric SMILES

OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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found in taxon

Cornus suecica

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19+,20-,21+,22+,23-,25-,26+,27-/m1/s1

0 references

InChIKey

SXYMMDGPXYVCER-BMMYDVPJSA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SXYMMDGPXYVCER-BMMYDVPJSA-O

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

SXYMMDGPXYVCER-BMMYDVPJSA-O

(Q105263408)

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

Statements

Identifiers

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