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Disodium 2-(3-oxo-6-oxidoxanthen-9-yl)benzoate
| Flow Object ID | fo-9875cb870ccdbcb9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Type | Consensus | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| CAS Numbers | 518-47-8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| EC Numbers | 208-253-0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Changes Applied | 2 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
DCAHYUQEYDTBOH-UHFFFAOYSA-N, GNBHRKFJIUUOQI-UHFFFAOYSA-N, KHBIARCXLUWABL-UHFFFAOYSA-N, MOUPEUAUBSXMLI-UHFFFAOYSA-N, NJDNXYGOVLYJHP-UHFFFAOYSA-L, RGPLGPBQJOQFJS-UHFFFAOYSA-L, UCZHABLJUKPBIE-UHFFFAOYSA-L, UMRUWCLCLNPHNZ-UHFFFAOYSA-L, XYCHBATZLXUNLH-UHFFFAOYSA-N, YKGGGCXBWXHKIZ-UHFFFAOYSA-L
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| InChI |
InChI=1S/C20H12O5.2Na.2H2O/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;;;/h1-10,21-22H;;;2*1H2/q;2*+1;;/p-2, InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;, InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;/q;2*+1/p-2, InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;/h1-10,21H,(H,23,24);;/q;2*+1/p-2, InChI=1S/C20H12O5.Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;/h1-10,21-22H;, InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H, InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)/p-2, InChI=1S/C20H29O5.Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;/h11-18,21H,1-10H2;/q-1;+1, InChI=1S/C21H14O4.2Na/c22-14-5-7-16-12(10-14)9-13-11-15(23)6-8-17(13)20(16)18-3-1-2-4-19(18)21(24)25;;/h1-8,10-11,22H,9H2,(H,24,25);;/q;2*+1/p-2, InChI=1S/C2Cl8Si/c3-1(4,5)11(9,10)2(6,7)8
|
| IUPAC name |
2-(3-keto-6-oxido-xanthen-9-yl)benzoate, 2-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)benzoate, 2-(3-oxido-6-oxo-9-xanthenyl)benzoate, 2-(3-oxido-6-oxo-xanthen-9-yl)benzoate, 2-(3-oxido-6-oxoxanthen-9-yl)benzoate, 3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one, 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one, 3',6'-dihydroxyspiro[isobenzofuran-3,9'-xanthene]-1-one, bis(chloranyl)-bis(trichloromethyl)silane, dichloro-bis(trichloromethyl)silane, disodium;2-(3-keto-6-oxido-10H-anthracen-9-yl)benzoate, disodium;2-(3-keto-6-oxido-xanthen-9-yl)benzoate, disodium;2-(3-oxidanidyl-6-oxidanylidene-10H-anthracen-9-yl)benzoate, disodium;2-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)benzoate, disodium;2-(3-oxido-6-oxo-10H-anthracen-9-yl)benzoate, disodium;2-(3-oxido-6-oxo-9-xanthenyl)benzoate, disodium;2-(3-oxido-6-oxo-xanthen-9-yl)benzoate, disodium;2-(3-oxido-6-oxoxanthen-9-yl)benzoate, disodium;3-ketospiro[phthalan-1,9'-xanthene]-3',6'-diolate, disodium;3-ketospiro[phthalan-1,9'-xanthene]-3',6'-diolate;dihydrate, disodium;3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate, disodium;3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;dihydrate, disodium;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate, disodium;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;dihydrate, disodium;3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate, disodium;3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate;dihydrate, fluorescein, sodium 6-hydroxy-3'-keto-spiro[1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene-9,1'-3a,4,5,6,7,7a-hexahydroisobenzofuran]-3-olate, sodium 6-hydroxy-3'-oxo-3-spiro[1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene-9,1'-3a,4,5,6,7,7a-hexahydroisobenzofuran]olate, sodium 6-hydroxy-3'-oxo-spiro[1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene-9,1'-3a,4,5,6,7,7a-hexahydroisobenzofuran]-3-olate, sodium 6-hydroxy-3'-oxospiro[1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene-9,1'-3a,4,5,6,7,7a-hexahydro-2-benzofuran]-3-olate, sodium 6-oxidanyl-3'-oxidanylidene-spiro[1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene-9,1'-3a,4,5,6,7,7a-hexahydro-2-benzofuran]-3-olate
|
| Molecular formula |
C20H10Na2O5, C20H10O5-2, C20H12Na2O5, C20H12NaO5, C20H12O5, C20H14Na2O7, C20H29NaO5, C21H12Na2O4, C2Cl8Si
|
| SMILES |
C([Si](C(Cl)(Cl)Cl)(Cl)Cl)(Cl)(Cl)Cl, C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-], C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-].[Na+].[Na+], C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O, C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.[Na], C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.[Na].[Na], C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-].O.O.[Na+].[Na+], C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-].[Na+].[Na+], C1C2=CC(=O)C=CC2=C(C3=C1C=C(C=C3)[O-])C4=CC=CC=C4C(=O)[O-].[Na+].[Na+], C1CCC2C(C1)C(=O)OC23C4CCC(CC4OC5C3CCC(C5)[O-])O.[Na+]
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J192.112F
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.479B
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.875A
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.264K
- https://chem.echa.europa.eu/100.007.504
- https://chem.echa.europa.eu/100.017.302
- https://chem.echa.europa.eu/100.018.195
- https://commonchemistry.cas.org/detail?cas_rn=2602-55-3
- https://commonchemistry.cas.org/detail?cas_rn=518-47-8
- https://commonchemistry.cas.org/detail?cas_rn=54287-24-0
- https://comptox.epa.gov/dashboard/DTXSID0038887
- https://comptox.epa.gov/dashboard/DTXSID30180667
- https://comptox.epa.gov/dashboard/DTXSID9025328
- https://drugcentral.org/drugcard/1207
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=667256
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759114
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=765987
- https://en.wikipedia.org/wiki/Fluorescein
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/93X55PE38X
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TPY09G7XIR
- https://hmdb.ca/metabolites/HMDB0014831
- https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61766
- https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65723
- https://pharos.nih.gov/ligands/G1A619TDKYF7
- https://platform.opentargets.org/drug/CHEMBL1057
- https://platform.opentargets.org/drug/CHEMBL1628233
- https://pubchem.ncbi.nlm.nih.gov/compound/10608
- https://pubchem.ncbi.nlm.nih.gov/compound/16850
- https://pubchem.ncbi.nlm.nih.gov/compound/175647686
- https://pubchem.ncbi.nlm.nih.gov/compound/45157623
- https://pubchem.ncbi.nlm.nih.gov/compound/4584640
- https://pubchem.ncbi.nlm.nih.gov/compound/66596704
- https://pubchem.ncbi.nlm.nih.gov/compound/66637129
- https://pubchem.ncbi.nlm.nih.gov/compound/75781
- https://pubchem.ncbi.nlm.nih.gov/compound/91886391
- https://pubchem.ncbi.nlm.nih.gov/compound/9885981
- https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=144504
- https://rxnav.nlm.nih.gov/id/rxnorm/25138
- https://rxnav.nlm.nih.gov/id/rxnorm/57789
- https://www.drugbank.ca/drugs/DB00693
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31624
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1057
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200433
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1628233
- https://www.kegg.jp/entry/D01261
- https://www.kegg.jp/entry/D02024
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71459
- https://www.pharmgkb.org/chemical/PA164746009
- https://www.wikidata.org/wiki/Q126673245
- https://www.wikidata.org/wiki/Q27271622
- https://www.wikidata.org/wiki/Q410922
- https://www.wikidata.org/wiki/Q83051261
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
96e29d27… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
96e29d27… |
altLabel |
— |
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Uranine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:518-47-8","https://commonchemistry.cas.org/detail?cas_rn=518-47-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Disodium fluorescein","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:518-47-8","https://commonchemistry.cas.org/detail?cas_rn=518-47-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Fluo-rectal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:518-47-8","https://commonchemistry.cas.org/detail?cas_rn=518-47-8"],"prov:wasDerivedFrom":"common chemistry CAS 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disodium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:518-47-8","https://commonchemistry.cas.org/detail?cas_rn=518-47-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Fluorescein sodium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:518-47-8","https://commonchemistry.cas.org/detail?cas_rn=518-47-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Fluorescein sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:518-47-8","https://commonchemistry.cas.org/detail?cas_rn=518-47-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Fluorescein, disodium 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group_key=disodium2-(3-oxo-6-oxidoxanthen-9-yl)benzoate||dimension=Environmental > media=Ground > geography=Agricultural; cas=518-47-8; added Common Chemistry CAS names as altLabel: 11824 Yellow, 12417 Yellow, 3058 Uranine, 5(6)-Carboxyfluorescein sodium, ABCO Uranine, Abbey Uranine, Acid Yellow 73, Aizen Uranine, Basacid Yellow 226, Basovit Yellow 227, C.I. 45350, C.I. Acid Yellow 73, Calcocid Uranine B 4315, Certiqual Fluoresceine, Cogilor Yellow 111.10, D & C Yellow 8, D and C Yellow No. 8, D&C Yellow No. 8, D&C Yellow No. 8-307225, Dinacid Florescence Uranine, Dinacid Florescinece Uranine, Disodium fluorescein, Fluo-rectal, Fluor-I-Strip, Fluorescein LT, Fluorescein Sodium B.P, Fluorescein disodium, Fluorescein sodium, Fluorescein sodium salt, Fluorescein, disodium salt, Fluorescein, soluble, Fluoresceine DTD 842, Fluoresceine Extra 019187, Fluorescite, Fluoresein, Fluorin, Flurenate, Ful-Glo, Furanium, Hidacid Uranine, Japan Yellow 202(1), Neelicol Fluorescein, Neelicol Uranine, Obiturine, Resorcinol phthalein sodium, Sicomet Uranin S 45350, Sicomet Uranine S 45350, Simacid Fluoresceine LT, Simacid Fluoresceine Sodium, Sodium fluorescein, Sodium fluoresceinate, Soluble Fluorescein, Soluble Fluoresceine BPS, Spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 3′,6′-dihydroxy-, disodium salt, Spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 3′,6′-dihydroxy-, sodium salt (1:2), Triacid Fluoresceine, Urane U 307027, Uranin, Uranin A, Uranin Conc, Uranin S, Uranine, Uranine A, Uranine A extra, Uranine O, Uranine SS, Uranine SSO, Uranine WSS, Victacid Uranine, Victacid Uranine VDC, Yellow #8, Yellow 202-1, Yellow No. 202-1; object_uuid=fo-9875cb870ccdbcb9 |
96e29d27… |
cas_match_labels |
— |
{"518-47-8":"exactMatch"} |
group_key=disodium2-(3-oxo-6-oxidoxanthen-9-yl)benzoate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'518-47-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9875cb870ccdbcb9: {'518-47-8': 'exactMatch'} |
Flow Object JSON
{
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"altLabel": [
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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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},
{
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{
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},
{
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{
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{
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{
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{
"@value": "Dinacid Florescinece Uranine",
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