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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80533 - 2,22-Dideoxy-3-dehydroecdysone
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ChEBI Ontology
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ChEBI Name
2,22-Dideoxy-3-dehydroecdysone
ChEBI ID
CHEBI:80533
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C27H42O4
Net Charge
0
Average Mass
430.62000
Monoisotopic Mass
430.30831
InChI
InChI=1S/C27H42O4/c1-
17(7-
6-
11-
24(2,3)
30)
19-
10-
14-
27(31)
21-
16-
23(29)
22-
15-
18(28)
8-
12-
25(22,4)
20(21)
9-
13-
26(19,27)
5/h16-
17,19-
20,22,30-
31H,6-
15H2,1-
5H3/t17-
,19-
,20+,22+,25-
,26-
,27-
/m1/s1
InChIKey
ADJIOBLYKGQIDH-NOVLVJNXSA-N
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing
2,22-Dideoxy-3-dehydroecdysone (
CHEBI:80533
)
is a
cholestanoid (
CHEBI:50401
)
Manual Xref
Database
C16498
KEGG COMPOUND
View more database links