Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:38241 - solanapyrone E
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
solanapyrone E
ChEBI ID
CHEBI:38241
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C18H24O4
Net Charge
0
Average Mass
304.38076
Monoisotopic Mass
304.16746
InChI
InChI=1S/C18H24O4/c1-
11-
7-
8-
12-
5-
3-
4-
6-
13(12)
17(11)
16-
9-
15(21-
2)
14(10-
19)
18(20)
22-
16/h7-
9,11-
13,17,19H,3-
6,10H2,1-
2H3/t11-
,12+,13-
,17-
/m1/s1
InChIKey
YJHFAFJKTXEFDR-IPJQOSJUSA-N
SMILES
[H][C@@]12CCCC[C@@]1([H])[C@@H]([C@H](C)C=C2)c1cc(OC)c(CO)c(=O)o1
Roles Classification
Biological Role
(s):
mycotoxin
Poisonous substance produced by fungi.
(via
solanapyrone
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
solanapyrone E (
CHEBI:38241
)
is a
octahydronaphthalenes (
CHEBI:138397
)
solanapyrone E (
CHEBI:38241
)
is a
solanapyrone (
CHEBI:38230
)
IUPAC Name
3-
(hydroxymethyl)-
4-
methoxy-
6-
[(1
R
,2
R
,4a
S
,8a
R
)-
2-
methyl-
1,2,4a,5,6,7,8,8a-
octahydronaphthalen-
1-
yl]-
2
H
-
pyran-
2-
one
Registry Number
Type
Source
6935381
Beilstein Registry Number
Beilstein
Last Modified
07 September 2017