UNPD182449
AlkaPlorer ID: AK318518
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(2S)-2-carboxy-1-[2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl sulfate
Structure
SMILES: O=C(O)C1=CC(=CC=[N+]2C3=CC(O)=C(O[C@@H]4O[C@H](COS(=O)(=O)[O-])[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/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1
InChIKey: OZXPZOHWSFDUDY-RYGANQNKSA-N
Reference
Betalains Assay of Fermented Red Beet Root Extract by High Performance Liquid Chromatography
PubChem CID: 441640
CAS: 13798-16-8
LOTUS: LTS0078767
NPASS: NPC135585
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trifolium pratense | Trifolium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Beta vulgaris | Beta | Chenopodiaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phytolacca americana | Phytolacca | Phytolaccaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 630.5370000000003
TPSA？: 292.74999999999994
MolLogP？: -2.879099999999993
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|