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CHEBI:70347 - Hirsutalin H, (rel)-
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ChEBI Name
Hirsutalin H, (rel)-
ChEBI ID
CHEBI:70347
Definition
A natural product found in
Cladiella hirsuta
.
Stars
This entity has been manually annotated by a third party.
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Formula
C26H42O7
Net Charge
0
Average Mass
466.60750
Monoisotopic Mass
466.29305
InChI
InChI=1S/C26H42O7/c1-
7-
8-
21(29)
33-
26(6)
12-
11-
20(28)
25(5,30)
13-
19-
22-
15(2)
9-
10-
18(23(22)
24(26)
32-
19)
16(3)
14-
31-
17(4)
27/h16,18-
20,22-
24,28,30H,2,7-
14H2,1,3-
6H3/t16-
,18+,19+,20-
,22+,23+,24+,25-
,26+/m0/s1
InChIKey
IJROBFJVCCDEKL-IQDBQWTNSA-N
SMILES
[H]
[C@]
12C[C@]
(C)
(O)
[C@@H]
(O)
CC[C@@]
(C)
(OC(=O)
CCC)
[C@]
([H]
)
(O1)
[C@]
1([H]
)
[C@]
([H]
)
(CCC(=C)
[C@]
21[H]
)
[C@@H]
(C)
COC(C)
=O
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 H, (rel)- (
CHEBI:70347
)
has role
metabolite (
CHEBI:25212
)
Hirsutalin H, (rel)- (
CHEBI:70347
)
is a
butyrate ester (
CHEBI:50477
)
Hirsutalin H, (rel)- (
CHEBI:70347
)
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:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);