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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:20661 - 5β-bufanolide
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ChEBI Name
5β-bufanolide
ChEBI ID
CHEBI:20661
ChEBI ASCII Name
5beta-bufanolide
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H38O2
Net Charge
0
Average Mass
358.55732
Monoisotopic Mass
358.28718
InChI
InChI=1S/C24H38O2/c1-
23-
13-
4-
3-
5-
17(23)
7-
8-
18-
20-
10-
9-
19(16-
6-
11-
22(25)
26-
15-
16)
24(20,2)
14-
12-
21(18)
23/h16-
21H,3-
15H2,1-
2H3/t16-
,17-
,18-
,19+,20+,21-
,23-
,24+/m0/s1
InChIKey
PXOHOSHERMSUCD-XBRYSSHXSA-N
SMILES
[H][C@@]1(CCC(=O)OC1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing
5β-bufanolide (
CHEBI:20661
)
is a
bufanolide (
CHEBI:22934
)
Incoming
hellebrigenin (
CHEBI:38344
)
has functional parent
5β-bufanolide (
CHEBI:20661
)
lucibufagin C (
CHEBI:134224
)
has parent hydride
5β-bufanolide (
CHEBI:20661
)
IUPAC Name
5β-bufanolide
Last Modified
14 June 2017