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ChEBI
> Main
CHEBI:132487 - hyrtial
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ChEBI Name
hyrtial
ChEBI ID
CHEBI:132487
Definition
A scalarane sesterterpenoid with formula C
26
H
40
O
3
, originally isolated from the marine sponge
Hyrtios erecta
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H40O3
Net Charge
0
Average Mass
400.595
Monoisotopic Mass
400.29775
InChI
InChI=1S/C26H40O3/c1-
17(28)
29-
22-
14-
21-
24(4)
12-
7-
11-
23(2,3)
19(24)
10-
13-
25(21,5)
20-
9-
8-
18(16-
27)
15-
26(20,22)
6/h8,16,19-
22H,7,9-
15H2,1-
6H3/t19-
,20-
,21+,22+,24-
,25-
,26+/m0/s1
InChIKey
PTMXVTMFEPDKJQ-GAZMYWJLSA-N
SMILES
C1CC([C@]
2([C@]
(C1)
([C@@]
3([C@@]
(CC2)
([C@]
4([C@]
([C@@H]
(C3)
OC(=O)
C)
(CC(=CC4)
C(=O)
[H]
)
C)
[H]
)
C)
[H]
)
C)
[H]
)
(C)
C
Metabolite of Species
Details
Calanus helgolandicus
(NCBI:txid114068)
See:
MetaboLights Study
Calanus helgolandicus
(NCBI:txid114068)
See:
PubMed
Roles Classification
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hyrtial (
CHEBI:132487
)
has role
marine metabolite (
CHEBI:76507
)
hyrtial (
CHEBI:132487
)
is a
acetate ester (
CHEBI:47622
)
hyrtial (
CHEBI:132487
)
is a
enal (
CHEBI:51688
)
hyrtial (
CHEBI:132487
)
is a
scalarane sesterterpenoid (
CHEBI:59370
)
Synonyms
Sources
(4a
S
,4b
R
,6
R
,6a
R
,10a
S
,10b
R
,12a
S
)-
8-
formyl-
1,1,4a,6a,10b-
pentamethyl-
1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-
hexadecahydrochrysen-
6-
yl acetate
ChEBI
12β-acetoxy-25-nor-16-scalaren-24-al
ChEBI
Registry Number
Type
Source
97889-56-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
26364855
PubMed citation
Europe PMC
3572416
PubMed citation
Europe PMC
3838939
PubMed citation
Europe PMC
Last Modified
13 January 2017