Cappariloside A (CHEBI:142256)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cappariloside A

ChEBI ID	CHEBI:142256

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C16H18N2O6

Net Charge

Average Mass

334.325

Monoisotopic Mass

334.11649

InChI

InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2/t11-,13-,14+,15-,16-/m1/s1

InChIKey

ZVFUTZQNUQUJLW-YMILTQATSA-N

SMILES

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(NC=C3CC#N)C=CC2)CO

ChEBI Ontology
Outgoing	Cappariloside A (CHEBI:142256) has functional parent indole-3-acetonitrile (CHEBI:17566) Cappariloside A (CHEBI:142256) is a indoles (CHEBI:24828)

Last Modified

19 September 2018