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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80531 - 3-Epiecdysone
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ChEBI Ontology
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ChEBI Name
3-Epiecdysone
ChEBI ID
CHEBI:80531
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C27H44O6
Net Charge
0
Average Mass
464.63470
Monoisotopic Mass
464.31379
InChI
InChI=1S/C27H44O6/c1-
15(20(28)
8-
9-
24(2,3)
32)
16-
7-
11-
27(33)
18-
12-
21(29)
19-
13-
22(30)
23(31)
14-
25(19,4)
17(18)
6-
10-
26(16,27)
5/h12,15-
17,19-
20,22-
23,28,30-
33H,6-
11,13-
14H2,1-
5H3/t15-
,16+,17-
,19-
,20+,22-
,23-
,25+,26+,27+/m0/s1
InChIKey
UPEZCKBFRMILAV-LVRQXCCVSA-N
SMILES
C[C@H]
([C@H]
(O)
CCC(C)
(C)
O)
[C@H]
1CC[C@@]
2(O)
C3=CC(=O)
[C@@H]
4C[C@H]
(O)
[C@@H]
(O)
C[C@]
4(C)
[C@H]
3CC[C@]
12C
ChEBI Ontology
Outgoing
3-Epiecdysone (
CHEBI:80531
)
is a
steroid (
CHEBI:35341
)
Manual Xref
Database
C16496
KEGG COMPOUND
View more database links