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CHEBI:70340 - Hirsutalin A
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ChEBI Ontology
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ChEBI Name
Hirsutalin A
ChEBI ID
CHEBI:70340
Definition
A natural product found in
Cladiella hirsuta
.
Stars
This entity has been manually annotated by a third party.
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Formula
C28H44O7
Net Charge
0
Average Mass
492.64480
Monoisotopic Mass
492.30870
InChI
InChI=1S/C28H44O7/c1-
7-
9-
23(31)
33-
15-
18(5)
19-
11-
10-
16(3)
24-
22-
14-
17(4)
21(30)
12-
13-
28(6,26(34-
22)
25(19)
24)
35-
27(32)
20(29)
8-
2/h10,18-
22,24-
26,29-
30H,4,7-
9,11-
15H2,1-
3,5-
6H3/t18-
,19+,20+,21-
,22+,24+,25+,26+,28+/m0/s1
InChIKey
LGCBXJHPKWYGGG-ZEOQMOKSSA-N
SMILES
[H]
[C@]
12CC(=C)
[C@@H]
(O)
CC[C@@]
(C)
(OC(=O)
[C@H]
(O)
CC)
[C@]
([H]
)
(O1)
[C@]
1([H]
)
[C@]
([H]
)
(CC=C(C)
[C@]
21[H]
)
[C@@H]
(C)
COC(=O)
CCC
Metabolite of Species
Details
Cladiella hirsuta
(WORMS:288617)
Sliced frozen bodies extracted with acetone 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
Hirsutalin A (
CHEBI:70340
)
has role
metabolite (
CHEBI:25212
)
Hirsutalin A (
CHEBI:70340
)
is a
butyrate ester (
CHEBI:50477
)
Hirsutalin A (
CHEBI:70340
)
is a
sesquiterpenoid (
CHEBI:26658
)
Citation
Type
Source
20979397
PubMed citation
Europe PMC
Last Modified
26 August 2015
General Comment
2014-10-17
Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);