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> Main
CHEBI:79626 - 3-Methoxyestra-1,3,5(10),16-tetraene
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ChEBI Ontology
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ChEBI Name
3-Methoxyestra-1,3,5(10),16-tetraene
ChEBI ID
CHEBI:79626
Stars
This entity has been manually annotated by a third party.
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Formula
C19H24O
Net Charge
0
Average Mass
268.39330
Monoisotopic Mass
268.18272
InChI
InChI=1S/C19H24O/c1-
19-
10-
3-
4-
18(19)
17-
7-
5-
13-
12-
14(20-
2)
6-
8-
15(13)
16(17)
9-
11-
19/h3,6,8,10,12,16-
18H,4-
5,7,9,11H2,1-
2H3/t16-
,17-
,18+,19+/m1/s1
InChIKey
HDBRXSVHQAGDAZ-YRXWBPOGSA-N
SMILES
COc1ccc2[C@H]3CC[C@]4(C)C=CC[C@H]4[C@@H]3CCc2c1
ChEBI Ontology
Outgoing
3-Methoxyestra-1,3,5(10),16-tetraene (
CHEBI:79626
)
has parent hydride
estrane (
CHEBI:23966
)
3-Methoxyestra-1,3,5(10),16-tetraene (
CHEBI:79626
)
is a
steroid (
CHEBI:35341
)
Manual Xref
Database
C15107
KEGG COMPOUND
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