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ChEBI
> Main
CHEBI:31513 - Docarpamine
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ChEBI Ontology
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ChEBI Name
Docarpamine
ChEBI ID
CHEBI:31513
Stars
This entity has been manually annotated by a third party.
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Formulae
C21H30N2O8S
C21H30N2O8S
Net Charge
0
Average Mass
470.538
Monoisotopic Mass
470.17229
InChI
InChI=1S/C21H30N2O8S/c1-
5-
28-
20(26)
30-
17-
8-
7-
15(13-
18(17)
31-
21(27)
29-
6-
2)
9-
11-
22-
19(25)
16(10-
12-
32-
4)
23-
14(3)
24/h7-
8,13,16H,5-
6,9-
12H2,1-
4H3,(H,22,25)
(H,23,24)
/t16-
/m0/s1
InChIKey
ZLVMAMIPILWYHQ-INIZCTEOSA-N
SMILES
O(C(OCC)=O)C1=C(OC(OCC)=O)C=C(C=C1)CCNC([C@H](CCSC)NC(C)=O)=O
ChEBI Ontology
Outgoing
Docarpamine (
CHEBI:31513
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
Docarpamine
KEGG COMPOUND
tanadopa
DrugCentral
Manual Xrefs
Databases
938
DrugCentral
D01903
KEGG DRUG
View more database links
Registry Number
Type
Source
74639-40-0
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017