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CHEBI:68973 - squamostatin-A
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ChEBI Ontology
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ChEBI Name
squamostatin-A
ChEBI ID
CHEBI:68973
Definition
A natural product found in
Annona squamosa
.
Stars
This entity has been manually annotated by a third party.
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Formula
C37H66O8
Net Charge
0
Average Mass
638.91510
Monoisotopic Mass
638.47577
InChI
InChI=1S/C37H66O8/c1-
3-
4-
5-
12-
16-
29(38)
17-
14-
19-
31(39)
35-
24-
25-
36(45-
35)
33(41)
22-
21-
32(40)
34-
23-
20-
30(44-
34)
18-
13-
10-
8-
6-
7-
9-
11-
15-
28-
26-
27(2)
43-
37(28)
42/h26-
27,29-
36,38-
41H,3-
25H2,1-
2H3/t27-
,29-
,30+,31-
,32-
,33+,34-
,35+,36+/m0/s1
InChIKey
HKIHGTSLUYNNHM-LIASLPPCSA-N
SMILES
[H]
[C@]
1(CC[C@@H]
(CCCCCCCCCC2=C[C@H]
(C)
OC2=O)
O1)
[C@@H]
(O)
CC[C@@H]
(O)
[C@@]
1([H]
)
CC[C@@]
([H]
)
(O1)
[C@@H]
(O)
CCC[C@@H]
(O)
CCCCCC
Metabolite of Species
Details
Annona squamosa
(NCBI:txid301693)
Found in seed
(BTO:0001226)
. 95% ethanolic extract of seeds See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
squamostatin-A (
CHEBI:68973
)
has role
metabolite (
CHEBI:25212
)
squamostatin-A (
CHEBI:68973
)
is a
polyketide (
CHEBI:26188
)
Synonym
Source
(5S)-
3-
(9-
{(2R,5S)-
5-
[(1S,4R)-
4-
{(2R,5R)-
5-
[(1S,5S)-
1,5-
Dihydroxyundecyl]tetrahydro-
2-
furanyl}-
1,4-
dihydroxybutyl]tetrahydro-
2-
furanyl}nonyl)-
5-
methyl-
2(5H)-
furanone
ChEBI
Citation
Type
Source
22011319
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:disaccharide(CHEBI:36233); ISA:butenolide(CHEBI:50523); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);