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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:4701 - Doronine
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ChEBI Ontology
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ChEBI Name
Doronine
ChEBI ID
CHEBI:4701
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30ClNO8
Net Charge
0
Average Mass
459.919
Monoisotopic Mass
459.16599
InChI
InChI=1S/C21H30ClNO8/c1-
12-
10-
21(28,13(2)
22)
19(27)
30-
16-
7-
9-
23(5)
8-
6-
15(17(16)
25)
11-
29-
18(26)
20(12,4)
31-
14(3)
24/h6,12-
13,16,28H,7-
11H2,1-
5H3/b15-
6-
/t12-
,13-
,16-
,20-
,21+/m1/s1
InChIKey
VGRSISYREBBIAL-XAHVSKGQSA-N
SMILES
C[C@@H](Cl)[C@@]1(O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
ChEBI Ontology
Outgoing
Doronine (
CHEBI:4701
)
is a
carboxylic ester (
CHEBI:33308
)
Doronine (
CHEBI:4701
)
is a
ketone (
CHEBI:17087
)
Synonyms
Sources
4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-
KEGG COMPOUND
Doronine
KEGG COMPOUND
Manual Xrefs
Databases
C00002084
KNApSAcK
C10286
KEGG COMPOUND
View more database links
Registry Number
Type
Source
60367-00-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014