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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:7937 - Parsonsine
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ChEBI Ontology
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ChEBI Name
Parsonsine
ChEBI ID
CHEBI:7937
Stars
This entity has been manually annotated by a third party.
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Formula
C23H37NO7
Net Charge
0
Average Mass
439.500
Monoisotopic Mass
439.22062
InChI
InChI=1S/C22H33NO8/c1-
12(2)
21(27)
10-
17(24)
30-
14(5)
22(28,13(3)
4)
20(26)
29-
11-
15-
6-
8-
23-
9-
7-
16(18(15)
23)
31-
19(21)
25/h6,12-
14,16,18,27-
28H,7-
11H2,1-
5H3/t14-
,16-
,18-
,21+,22+/m1/s1
InChIKey
MPPSDVYCCOJJIB-QCNRXRGQSA-N
SMILES
CC(C)[C@@]1(O)CC(=O)O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing
Parsonsine (
CHEBI:7937
)
is a
macrotriolide (
CHEBI:145559
)
Synonym
Source
Parsonsine
KEGG COMPOUND
Manual Xrefs
Databases
C00002104
KNApSAcK
C10357
KEGG COMPOUND
View more database links
Registry Number
Type
Source
72213-98-0
CAS Registry Number
KEGG COMPOUND
Last Modified
02 December 2019