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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2944 - Azafrin
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ChEBI Ontology
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ChEBI Name
Azafrin
ChEBI ID
CHEBI:2944
Stars
This entity has been manually annotated by a third party.
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Formula
C27H38O4
Net Charge
0
Average Mass
426.589
Monoisotopic Mass
426.27701
InChI
InChI=1S/C27H38O4/c1-
21(11-
7-
8-
12-
22(2)
15-
16-
24(28)
29)
13-
9-
14-
23(3)
17-
20-
27(31)
25(4,5)
18-
10-
19-
26(27,6)
30/h7-
9,11-
17,20,30-
31H,10,18-
19H2,1-
6H3,(H,28,29)
/b8-
7+,13-
9+,16-
15+,20-
17+,21-
11+,22-
12+,23-
14+/t26-
,27-
/m1/s1
InChIKey
NYWCITDWPAZNBU-DYISAODMSA-N
SMILES
CC(\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C/C=C/C=C(C)/C=C/C(O)=O
ChEBI Ontology
Outgoing
Azafrin (
CHEBI:2944
)
is a
sesterterpenoid (
CHEBI:26660
)
Synonym
Source
Azafrin
KEGG COMPOUND
Manual Xrefs
Databases
C00003761
KNApSAcK
C08581
KEGG COMPOUND
View more database links
Registry Number
Type
Source
507-61-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014