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CHEBI:69698 - Pestalospirane A
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ChEBI Name
Pestalospirane A
ChEBI ID
CHEBI:69698
Definition
A natural product found in
Pestalotiopsis virgatula
.
Stars
This entity has been manually annotated by a third party.
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Formula
C24H24O6
Net Charge
0
Average Mass
408.44380
Monoisotopic Mass
408.15729
InChI
InChI=1S/C24H24O6/c1-
15-
23(11-
9-
17-
5-
3-
7-
21(25)
19(17)
13-
27-
23)
30-
16(2)
24(29-
15)
12-
10-
18-
6-
4-
8-
22(26)
20(18)
14-
28-
24/h3-
12,15-
16,25-
26H,13-
14H2,1-
2H3/t15-
,16-
,23-
,24+/m1/s1
InChIKey
GWADQOOKXMSEMY-TVKIDPOGSA-N
SMILES
C[C@H]1O[C@]2(OCc3c(O)cccc3C=C2)[C@@H](C)O[C@@]11OCc2c(O)cccc2C=C1
Metabolite of Species
Details
Pestalotiopsis virgatula
(NCBI:txid290289)
Found in mycelium
(BTO:0001436)
. Endophytic fungus derived from the plant Terminalia chebula. 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
Pestalospirane A (
CHEBI:69698
)
has role
metabolite (
CHEBI:25212
)
Pestalospirane A (
CHEBI:69698
)
is a
phenols (
CHEBI:33853
)
Citation
Type
Source
21942847
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:dioxanes(CHEBI:46926); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854);