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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:38248 - scillarenin
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ChEBI Name
scillarenin
ChEBI ID
CHEBI:38248
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H32O4
Net Charge
0
Average Mass
384.50848
Monoisotopic Mass
384.23006
InChI
InChI=1S/C24H32O4/c1-
22-
10-
7-
17(25)
13-
16(22)
4-
5-
20-
19(22)
8-
11-
23(2)
18(9-
12-
24(20,23)
27)
15-
3-
6-
21(26)
28-
14-
15/h3,6,13-
14,17-
20,25,27H,4-
5,7-
12H2,1-
2H3/t17-
,18+,19-
,20+,22-
,23+,24-
/m0/s1
InChIKey
OVUOVMIMOCJILI-KFZANIOBSA-N
SMILES
[H][C@@]1(CC[C@]2(O)[C@]3([H])CCC4=C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)c1ccc(=O)oc1
ChEBI Ontology
Outgoing
scillarenin (
CHEBI:38248
)
has functional parent
bufanolide (
CHEBI:22934
)
scillarenin (
CHEBI:38248
)
is a
14β-hydroxy steroid (
CHEBI:36862
)
scillarenin (
CHEBI:38248
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
Incoming
scillaren A (
CHEBI:27831
)
has functional parent
scillarenin (
CHEBI:38248
)
IUPAC Name
3β,14-dihydroxybufa-4,20,22-trienolide
Synonyms
Sources
beta-Scillarenin
ChemIDplus
Cardiogenin
ChemIDplus
Scillarenin A
ChemIDplus
Registry Number
Type
Source
465-22-5
CAS Registry Number
ChemIDplus
Last Modified
17 January 2023