Flow object JSON
{
"flow_object_id": "fo-8d8f7f810382105d",
"prefLabel": [
{
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],
"altLabel": [
{
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],
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},
{
"@value": "(4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol",
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},
{
"@value": "(RS)-Solketal",
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],
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}
},
{
"@value": "(±)-1,2-O-Isopropylideneglycerol",
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},
{
"@value": "(±)-2,2-Dimethyl-1,3-dioxolane-4-methanol",
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],
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},
{
"@value": "(±)-Glycerol 1,2-acetonide",
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},
{
"@value": "1,2-Isopropylideneglycerin",
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}
},
{
"@value": "1,2-Isopropylideneglycerol",
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},
{
"@value": "1,2-O,O-Isopropylideneglycerin",
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}
},
{
"@value": "1,2-O-Isopropylidene-rac-glycerol",
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},
{
"@value": "1,2-O-Isopropylideneglycerol",
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}
},
{
"@value": "1,3-Dioxolane-4-methanol, 2,2-dimethyl-",
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},
{
"@value": "2,2-Dimethyl-1,3-dioxolan-4-methanol",
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},
{
"@value": "2,2-Dimethyl-1,3-dioxolane-4-methanol",
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},
{
"@value": "2,2-Dimethyl-1,3-dioxolane-5-methanol",
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},
{
"@value": "2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan",
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},
{
"@value": "2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane",
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}
},
{
"@value": "2,2-Dimethyl-4-hydroxymethyldioxolane",
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},
{
"@value": "2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane",
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},
{
"@value": "2,2-Dimethyldioxolane-4-methanol",
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},
{
"@value": "2,3-(Isopropylidenedioxy)propanol",
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},
{
"@value": "2,3-Isopropylideneglycerol",
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},
{
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},
{
"@value": "2-Dimethyl-4-oxymethyl-1,3-dioxolane",
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},
{
"@value": "4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane",
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},
{
"@value": "Acetone glycerin ketal",
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},
{
"@value": "Acetone glyceryl acetal",
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},
{
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},
{
"@value": "Augeo Clean Multi",
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{
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{
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},
{
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},
{
"@value": "DL-1,2-Isopropylidene glycerol",
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},
{
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},
{
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},
{
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},
{
"@value": "Glycerin acetone ketal",
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},
{
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},
{
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},
{
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},
{
"@value": "Glycerol α,β-isopropylidene ether",
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},
{
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},
{
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{
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},
{
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{
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},
{
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},
{
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],
"properties": {
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},
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