Showing entry for 15-decarboxy-betanin

PhytoHub ID

PHUB000416

Name

15-decarboxy-betanin

Synonyms

Not Available

CAS Number

Not Available

Average Mass

507.471

Monoisotopic Mass

507.160936118

Chemical Formula

C₂₃H₂₇N₂O₁₁

IUPAC Name

(1E,2R)-2-carboxy-1-{2-[(4E)-2-carboxy-5,6-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium

InChI Key

TUFCRSJUUGMVTK-PULKIMFOSA-O

InChI Identifier

InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h2,4-5,7-8,14,17-20,23,26,28-30H,1,3,6,9H2,(H3,27,31,32,33,34)/p+1/t14-,17-,18-,19+,20-,23?/m1/s1

SMILES

[H]N1CC\C(C=C1C(O)=O)=C(\[H])/C=[N+]1/C2=CC(O)=C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C[C@]1([H])C(O)=O

Structure

MOLSDFPDBSMILESInChI

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Structure for 15-decarboxy-betanin

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