Identità

Apigenin 7-O-glucuronide

Non indicato · C21H18O11

01Identità

Lazychem ID	LC-85191
CAS RN	Non indicato
PubChem CID	5319484
Molecular formula	C21H18O11
Molecular weight	446.4 g/mol
IUPAC name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
InChIKey	JBFOLLJCGUCDQP-ZFORQUDYSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Apigenin 7-O-glucuronide — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
InChI	Non indicato

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.