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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:748 - 12alpha-Hydroxyamoorstatin
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ChEBI Ontology
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ChEBI Name
12alpha-Hydroxyamoorstatin
ChEBI ID
CHEBI:748
Stars
This entity has been manually annotated by a third party.
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Formula
C28H36O10
Net Charge
0
Average Mass
532.581
Monoisotopic Mass
532.23085
InChI
InChI=1S/C28H36O10/c1-
12(29)
37-
18-
9-
17(31)
27-
11-
36-
23(34)
24(18,2)
15(27)
8-
16(30)
26(4)
21(27)
20(32)
22(33)
25(3)
14(13-
5-
6-
35-
10-
13)
7-
19-
28(25,26)
38-
19/h5-
6,10,14-
19,21-
23,30-
31,33-
34H,7-
9,11H2,1-
4H3/t14-
,15-
,16+,17-
,18+,19+,21-
,22-
,23?,24+,25+,26+,27+,28+/m0/s1
InChIKey
PUNWVWPDKCBXSA-RMOQNIQOSA-N
SMILES
CC(=O)
O[C@@H]
1C[C@H]
(O)
[C@@]
23COC(O)
[C@]
1(C)
[C@@H]
2C[C@@H]
(O)
[C@]
1(C)
[C@@H]
3C(=O)
[C@H]
(O)
[C@@]
2(C)
[C@@H]
(C[C@H]
3O[C@@]
123)
c1ccoc1
ChEBI Ontology
Outgoing
12alpha-Hydroxyamoorstatin (
CHEBI:748
)
is a
limonoid (
CHEBI:39434
)
Synonym
Source
12alpha-Hydroxyamoorstatin
KEGG COMPOUND
Manual Xrefs
Databases
C00003715
KNApSAcK
C08767
KEGG COMPOUND
View more database links
Registry Number
Type
Source
71590-47-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014