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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:80168 - 1',2'-Dihydrochlorobactene
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ChEBI Ontology
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ChEBI Name
1',2'-Dihydrochlorobactene
ChEBI ID
CHEBI:80168
Stars
This entity has been manually annotated by a third party.
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Formula
C40H54
Net Charge
0
Average Mass
534.85680
Monoisotopic Mass
534.42255
InChI
InChI=1S/C40H54/c1-
31(2)
17-
13-
20-
34(5)
23-
15-
25-
35(6)
24-
14-
21-
32(3)
18-
11-
12-
19-
33(4)
22-
16-
26-
36(7)
27-
30-
40-
38(9)
29-
28-
37(8)
39(40)
10/h11-
12,14-
16,18-
19,21-
31H,13,17,20H2,1-
10H3/b12-
11+,21-
14+,22-
16+,25-
15+,30-
27+,32-
18+,33-
19+,34-
23+,35-
24+,36-
26+
InChIKey
QEIVSWXZEWDIPZ-IQAIWTHGSA-N
SMILES
CC(C)CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
ChEBI Ontology
Outgoing
1',2'-Dihydrochlorobactene (
CHEBI:80168
)
is a
triterpenoid (
CHEBI:36615
)
Manual Xrefs
Databases
C00022820
KNApSAcK
C15910
KEGG COMPOUND
View more database links