CHEBI:79626 - 3-Methoxyestra-1,3,5(10),16-tetraene

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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.
Supplier Information
Download Molfile XML SDF
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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