Verongidoic acid

AlkaPlorer ID: AK063747

Synonym: None

IUPAC Name: (5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxylic acid

Structure

SMILES: COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)O)=NO2

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InChI: InChI=1S/C10H9Br2NO5/c1-17-7-4(11)2-10(8(14)6(7)12)3-5(9(15)16)13-18-10/h2,8,14H,3H2,1H3,(H,15,16)/t8-,10+/m0/s1

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InChIKey: JAPHJLBVNFPOFR-WCBMZHEXSA-N

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Properties Information

Molecule Weight: 382.9920000000001

TPSA: 88.35000000000001

MolLogP: 1.4923

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information