Mycosporine
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Formula: C11H19NO6
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Molecular weight: 261.27
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Smiles: COC1=C(CC(CC1=O)(CO)O)NC(CO)CO
Mycosporine
Names
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Mycotoxin name: Mycosporine
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First synonym: Mycosporine
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Synonyms: Mycosporine,Mycosporine Serinol,59719-29-8,CHEBI:7039,CHEMBL1210424,C10607,(5S)-3-(1,3-dihydroxypropan-2-ylamino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one,AC1L9DJE,DTXSID00331982,Q27107431,(5S)-5-hydroxy-3-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-5-(hydroxymethyl)-2-methoxy-cyclohex-2-en-1-one
Identifiers / External links
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CAS: 59719-29-8
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PubChem CID: 442866
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ChemSpiderID: 391175
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ChEMBL: CHEMBL1210424
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Wikidata (wiki): Q27107431
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Chemical Entities of Biological Interest (CHEBI): CHEBI:7039
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CompTox Chemicals Dashboard (DTXSID): DTXSID00331982
Structure
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Smiles: COC1=C(CC(CC1=O)(CO)O)NC(CO)CO
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Isomeric smiles: COC1=C(C[C@](CC1=O)(CO)O)NC(CO)CO
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Inchi: InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1
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Inchikey: VVTDHOIRNPCGTH-NSHDSACASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C11H19NO6
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Molecular weight: 261.27
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Monoisotopic mass: 261.12123733
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Fungi
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Fungi id Species 664 Nectria galligena