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ChEBI
> Main
CHEBI:138814 - 5-Oxoavermectin "1a" aglycone
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ChEBI Ontology
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ChEBI Name
5-Oxoavermectin "1a" aglycone
ChEBI ID
CHEBI:138814
Stars
This entity has been manually annotated by a third party.
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Formula
C34H46O8
Net Charge
0
Average Mass
582.726
Monoisotopic Mass
582.31927
InChI
InChI=1S/C34H46O8/c1-
7-
19(2)
30-
22(5)
13-
14-
33(42-
30)
17-
26-
16-
25(41-
33)
12-
11-
21(4)
28(35)
20(3)
9-
8-
10-
24-
18-
39-
31-
29(36)
23(6)
15-
27(32(37)
40-
26)
34(24,31)
38/h8-
11,13-
15,19-
20,22,25-
28,30-
31,35,38H,7,12,16-
18H2,1-
6H3/b9-
8+,21-
11+,24-
10+/t19?,20-
,22-
,25+,26-
,27-
,28-
,30+,31+,33+,34+/m0/s1
InChIKey
ZSPNNRIPLTXTIF-ZJHNFQRCSA-N
SMILES
[C@]
12(C=C[C@H]
(C)
[C@@H]
(C(C)
CC)
O1)
C[C@@H]
3C[C@H]
(O2)
CC=C([C@H]
([C@H]
(C=CC=C4[C@]
5([C@H]
(C(=O)
O3)
C=C(C([C@]
5(OC4)
[H]
)
=O)
C)
O)
C)
O)
C
ChEBI Ontology
Outgoing
5-Oxoavermectin "1a" aglycone (
CHEBI:138814
)
is a
macrolide (
CHEBI:25106
)
Manual Xref
Database
C11978
KEGG COMPOUND
View more database links
Last Modified
25 October 2017