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name Structure Reference Source Properties Activities Metabolism

(1S,15R,17R,18S,19R)-17,18-dihydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2(10),3,8-trien-12-ium-12-olate

AlkaPlorer ID: AK502298

Synonym: None

IUPAC Name: (1S,15R,17R,18S,19R)-12-oxido-5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol

Structure

SMILES: [O-][N+]12CC[C@@H]3C[C@@H](O)[C@@H](O)[C@@H](C4=CC5=C(C=C4C1)OCO5)[C@@H]32

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InChI: InChI=1S/C16H19NO5/c18-11-3-8-1-2-17(20)6-9-4-12-13(22-7-21-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11-,14+,15-,16-,17?/m1/s1

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InChIKey: QNIAIGLXWYJZTF-WMJAPKHUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pancratium canariense Pancratium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 305.33000000000004

TPSA？: 81.98

MolLogP？: 0.8411000000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information