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CHEBI:67730 - 16-Deacetoxy-12-epi-scalarafuranacetate
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ChEBI Ontology
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ChEBI Name
16-Deacetoxy-12-epi-scalarafuranacetate
ChEBI ID
CHEBI:67730
Definition
A natural product found in
Spongia officinalis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C27H40O3
Net Charge
0
Average Mass
412.60470
Monoisotopic Mass
412.29775
InChI
InChI=1S/C27H40O3/c1-
17(28)
30-
23-
14-
22-
25(4)
12-
7-
11-
24(2,3)
20(25)
10-
13-
26(22,5)
21-
9-
8-
18-
15-
29-
16-
19(18)
27(21,23)
6/h15-
16,20-
23H,7-
14H2,1-
6H3/t20-
,21-
,22+,23-
,25-
,26-
,27+/m0/s1
InChIKey
WAADVUIWRUHATI-NXQORITBSA-N
SMILES
[H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O
Metabolite of Species
Details
Spongia officinalis
(NCBI:txid252964)
Diethyl ether soluble portion of acetone extract of chopped, frozen sponge 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
16-Deacetoxy-12-epi-scalarafuranacetate (
CHEBI:67730
)
has role
metabolite (
CHEBI:25212
)
16-Deacetoxy-12-epi-scalarafuranacetate (
CHEBI:67730
)
is a
scalarane sesterterpenoid (
CHEBI:59370
)
Citation
Type
Source
21548580
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:furans(CHEBI:24129); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);