UNPD22436
AlkaPlorer ID: AK325392
Synonym: None
IUPAC Name: (2R)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Structure
SMILES: O=C([O-])C1=CC(=CC=[N+]2C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1
InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1
InChIKey: DHHFDKNIEVKVKS-RYGANQNKSA-N
Reference
Betalains Assay of Fermented Red Beet Root Extract by High Performance Liquid Chromatography
PubChem CID: 6325438
CAS: 15121-53-6
LOTUS: LTS0254797
SuperNatural Ⅲ: SN0065733-03
NPASS: NPC87781
Source
Properties Information
Molecule Weight: 550.4730000000003
TPSA？: 249.38
MolLogP？: -3.6982999999999935
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 4
Activities Information
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