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:37394 - podorhizol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
podorhizol
ChEBI ID
CHEBI:37394
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
C22H24O8
Net Charge
0
Average Mass
416.42116
Monoisotopic Mass
416.14712
InChI
InChI=1S/C22H24O8/c1-
25-
17-
8-
13(9-
18(26-
2)
21(17)
27-
3)
20(23)
19-
14(10-
28-
22(19)
24)
6-
12-
4-
5-
15-
16(7-
12)
30-
11-
29-
15/h4-
5,7-
9,14,19-
20,23H,6,10-
11H2,1-
3H3/t14-
,19-
,20+/m0/s1
InChIKey
UNWCWBJEKCTIML-PNHOKKKMSA-N
SMILES
[H][C@]1([C@H](COC1=O)Cc1ccc2OCOc2c1)[C@H](O)c1cc(OC)c(OC)c(OC)c1
ChEBI Ontology
Outgoing
podorhizol (
CHEBI:37394
)
has functional parent
γ-butyrolactone (
CHEBI:42639
)
podorhizol (
CHEBI:37394
)
is a
γ-lactone (
CHEBI:37581
)
podorhizol (
CHEBI:37394
)
is a
aromatic ether (
CHEBI:35618
)
podorhizol (
CHEBI:37394
)
is a
benzodioxoles (
CHEBI:38298
)
podorhizol (
CHEBI:37394
)
is a
benzyl alcohols (
CHEBI:22743
)
podorhizol (
CHEBI:37394
)
is a
secondary alcohol (
CHEBI:35681
)
Incoming
podorhizol β-
D
-glucoside (
CHEBI:27901
)
has functional parent
podorhizol (
CHEBI:37394
)
IUPAC Name
(3
S
,4
R
)-
4-
(1,3-
benzodioxol-
5-
ylmethyl)-
3-
[(
S
)-
hydroxy(3,4,5-
trimethoxyphenyl)methyl]dihydrofuran-
2(3
H
)-
one
Registry Number
Type
Source
59366-91-5
CAS Registry Number
ChemIDplus
Last Modified
21 January 2015