(Q110082475)

English

Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-glucoside

group of stereoisomers with the chemical formula C₄₂H₄₇O₂₄⁺

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Statements

instance of

group of stereoisomers

0 references

subclass of

organic cation

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mass

935.24517880409 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₇O₂₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=C(O)C5)C(OC6OC(CO)C(O)C(O)C6O)C(O)C1O)C=CC7=CC=C(O)C(O)=C7

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found in taxon

sweet potato

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stated in

Acylated cyanidin glycosides in the violet-blue flowers of Ipomoea purpurea

stated in

Acylated anthocyanins from Ipomoea cairica

Ipomoea cairica

2 references

stated in

Acylated cyanidin glycosides in the violet-blue flowers of Ipomoea purpurea

stated in

Acylated anthocyanins from Ipomoea cairica

Ipomoea purpurea

2 references

stated in

Acylated cyanidin glycosides in the violet-blue flowers of Ipomoea purpurea

stated in

Acylated anthocyanins from Ipomoea cairica

Identifiers

InChI

InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(66-41-37(58)34(55)31(52)27(13-44)64-41)35(56)32(53)28(65-42)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1

0 references

InChIKey

OUIUOTNTXCBQGM-UHFFFAOYSA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OUIUOTNTXCBQGM-UHFFFAOYSA-O

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OUIUOTNTXCBQGM-UHFFFAOYSA-O

ChEBI ID

178038

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(66-41-37(58)34(55)31(52)27(13-44)64-41)35(56)32(53)28(65-42)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1

Human Metabolome Database ID

HMDB0031611

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OUIUOTNTXCBQGM-UHFFFAOYSA-O

(Q110082475)

Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-glucoside

Statements

Identifiers

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