CHEBI:79419 - 17-Allylestra-1,3,5(10)-triene-3,17beta-diol

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ChEBI Name 17-Allylestra-1,3,5(10)-triene-3,17beta-diol
ChEBI ID CHEBI:79419
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O2
Net Charge 0
Average Mass 312.44580
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,5,7,13,17-19,22-23H,1,4,6,8-12H2,2H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey XEKBJRSLNPZRAN-MJCUULBUSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CC=C
ChEBI Ontology
Outgoing 17-Allylestra-1,3,5(10)-triene-3,17beta-diol (CHEBI:79419) is a 3-hydroxy steroid (CHEBI:36834)
Manual Xref Database
C14892 KEGG COMPOUND
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Last Modified
20 January 2015