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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82368 - Ponceau 3R
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ChEBI Ontology
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ChEBI Name
Ponceau 3R
ChEBI ID
CHEBI:82368
Stars
This entity has been manually annotated by a third party.
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Formula
C19H17N2Na2O7S2
Net Charge
-1
Average Mass
495.45700
Monoisotopic Mass
495.02781
InChI
InChI=1S/C19H18N2O7S2.2Na.H/c1-
10-
6-
12(3)
16(7-
11(10)
2)
20-
21-
18-
15-
5-
4-
14(29(23,24)
25)
8-
13(15)
9-
17(19(18)
22)
30(26,27)
28;;;/h4-
9,22H,1-
3H3,(H,23,24,25)
(H,26,27,28)
;;;/q;;+1;/p-
2/b21-
20+;;;
InChIKey
ZACKGRTYZWEINS-BFUOAJNWSA-L
SMILES
[NaH].[Na+].Cc1cc(C)c(cc1C)\N=N\c1c(O)c(cc2cc(ccc12)S([O-])(=O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing
Ponceau 3R (
CHEBI:82368
)
is a
organic molecular entity (
CHEBI:50860
)
Manual Xref
Database
C19293
KEGG COMPOUND
View more database links
Registry Number
Type
Source
3564-09-8
CAS Registry Number
KEGG COMPOUND