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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanidin glycoside > /{[6-(/{5-[(6-/{[(2-carboxyacetyl)oxy]methyl/}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h-chromen-3-yl/}oxy)-3,4-dihydroxy-5-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-2-yl]methyl/}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanidin cation > anthocyanidin glycoside > /{[6-(/{5-[(6-/{[(2-carboxyacetyl)oxy]methyl/}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h-chromen-3-yl/}oxy)-3,4-dihydroxy-5-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-2-yl]methyl/}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium
... > chemical entity > molecular entity > ion > cation > organic cation > anthocyanidin cation > anthocyanidin glycoside > /{[6-(/{5-[(6-/{[(2-carboxyacetyl)oxy]methyl/}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h-chromen-3-yl/}oxy)-3,4-dihydroxy-5-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-2-yl]methyl/}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium
... > chemical entity > molecular entity > ion > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > /{[6-(/{5-[(6-/{[(2-carboxyacetyl)oxy]methyl/}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h-chromen-3-yl/}oxy)-3,4-dihydroxy-5-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-2-yl]methyl/}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > anthocyanidin cation > anthocyanidin glycoside > /{[6-(/{5-[(6-/{[(2-carboxyacetyl)oxy]methyl/}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h-chromen-3-yl/}oxy)-3,4-dihydroxy-5-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-2-yl]methyl/}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium

Preferred term

/{[6-(/{5-[(6-/{[(2-carboxyacetyl)oxy]methyl/}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h-chromen-3-yl/}oxy)-3,4-dihydroxy-5-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-2-yl]methyl/}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C45H49O25

inchi

  • InChI=1S/C45H48O25/c46-15-27-33(54)36(57)40(61)44(67-27)70-42-38(59)35(56)29(16-62-31(52)10-3-18-1-6-20(47)7-2-18)69-45(42)66-26-13-23-24(64-41(26)19-4-8-21(48)9-5-19)11-22(49)12-25(23)65-43-39(60)37(58)34(55)28(68-43)17-63-32(53)14-30(50)51/h1-13,27-29,33-40,42-46,54-61H,14-17H2,(H3-,47,48,49,50,51,52)/p+1

inchikey

  • MEMCAMOQDXSLTL-UHFFFAOYSA-O

mass

  • 989.861

monoisotopicmass

  • 989.25574

smiles

  • O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)COC(=O)CC(O)=O)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6)C7OC(C(O)C(O)C7O)CO

subset

  • 2_STAR

synonym EXACT

  • 3-[[6-[3-[4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185161

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