(Q27144921)

Delphinidin 3-sambubioside (English)

(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

8 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

Delphinidin 3-lathyroside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₉O₁₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)O)O)O)CO)O)O)O)O)O

1 reference

Delphinidin 3-sambubioside (English)

8 October 2016

isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)O)O)O)CO)O)O)O)O)O

1 reference

Anthocyanins in blue berries of Vaccinium padifolium

Delphinidin 3-sambubioside (English)

8 October 2016

1 reference

Identifiers

InChI

InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1

1 reference

Delphinidin 3-sambubioside (English)

TWYYVOVDSNRIJM-AFAGGVQESA-O

8 October 2016

InChIKey

2 references

Delphinidin 3-sambubioside (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

delphinidin 3-O-beta-D-sambubioside (English)

8 October 2016

1 reference

Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside) (English)

8 October 2016

1 reference

Delphinidin 3-sambubioside (English)

8 October 2016

Reaxys registry number

7327703

1 reference

delphinidin 3-O-beta-D-sambubioside (English)

8 October 2016

ChEBI ID

74810

mapping relation type

1 reference

splash10-0f6t-0029070000-4c563b807fa182a24ae4

delphinidin 3-O-beta-D-sambubioside (English)

8 October 2016

1 reference

MassBank accession ID

MSBNK-RIKEN-PR100461

0 references

MSBNK-RIKEN-PR100921

0 references

SPLASH

0 references

Human Metabolome Database ID

0 references

0 references

1 reference

delphinidin 3-O-beta-D-sambubioside (English)