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ChEBI
> Main
CHEBI:137520 - HCH-acetylsalicortin
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ChEBI Ontology
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ChEBI Name
HCH-acetylsalicortin
ChEBI ID
CHEBI:137520
Stars
This entity has been manually annotated by a third party.
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Formula
C29H32O14
Net Charge
0
Average Mass
604.557
Monoisotopic Mass
604.17921
InChI
InChI=1S/C29H32O14/c1-
16(30)
41-
24-
23(34)
22(33)
19(15-
40-
27(36)
29(38)
13-
7-
5-
11-
21(29)
32)
43-
25(24)
42-
18-
9-
3-
2-
8-
17(18)
14-
39-
26(35)
28(37)
12-
6-
4-
10-
20(28)
31/h2-
3,6-
9,12-
13,19,22-
25,33-
34,37-
38H,4-
5,10-
11,14-
15H2,1H3/t19-
,22-
,23+,24-
,25-
,28?,29?/m1/s1
InChIKey
LZUGATSLHKVSGD-NQAYFINZSA-N
SMILES
[C@@H]
1([C@@H]
(O[C@@H]
([C@H]
([C@@H]
1O)
O)
COC(C2(C(=O)
CCC=C2)
O)
=O)
OC=3C(COC(C4(C(=O)
CCC=C4)
O)
=O)
=CC=CC3)
OC(=O)
C
ChEBI Ontology
Outgoing
HCH-acetylsalicortin (
CHEBI:137520
)
is a
lipopolysaccharide (
CHEBI:16412
)
IUPAC Name
(2-
{[2-
O
-
acetyl-
6-
O
-
(1-
hydroxy-
6-
oxocyclohex-
2-
ene-
1-
carbonyl)-
β-
D
-
glucopyranosyl]oxy}phenyl)methyl 1-
hydroxy-
6-
oxocyclohex-
2-
ene-
1-
carboxylate
Manual Xref
Database
21615368
ChemSpider
View more database links
Last Modified
22 June 2017