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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:6091 - Jodrellin A
Main
ChEBI Ontology
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ChEBI Name
Jodrellin A
ChEBI ID
CHEBI:6091
Stars
This entity has been manually annotated by a third party.
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Formula
C22H30O6
Net Charge
0
Average Mass
448.507
Monoisotopic Mass
448.20972
InChI
InChI=1S/C24H32O8/c1-
12-
7-
19(29-
13(2)
25)
24-
17(22(12,4)
18-
8-
15-
5-
6-
27-
20(15)
32-
18)
9-
16(10-
23(24)
11-
28-
23)
31-
21(24)
30-
14(3)
26/h5-
6,12,15-
21H,7-
11H2,1-
4H3/t12-
,15-
,16-
,17-
,18+,19+,20+,21+,22+,23+,24?/m1/s1
InChIKey
CEUOLEQPGHORRY-HKIGURNISA-N
SMILES
C[C@@H]1C[C@H](OC(C)=O)C23[C@@H](OC(C)=O)O[C@H](C[C@@H]2[C@@]1(C)C1C[C@H]2C=CO[C@H]2O1)C[C@]31CO1
ChEBI Ontology
Outgoing
Jodrellin A (
CHEBI:6091
)
is a
furofuran (
CHEBI:47790
)
Synonym
Source
Jodrellin A
KEGG COMPOUND
Manual Xrefs
Databases
C00003447
KNApSAcK
C09121
KEGG COMPOUND
View more database links
Registry Number
Type
Source
124901-80-0
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014