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16beta,17beta-estriol

PropertiesImage
MNX_IDMNXM163130 Image of MNXM163130
referencechebi:87620
formulaC18H24O3
global charge0
mol weight288.387
InChIKeyPROQIPRRNZUXQM-ZMSHIADSSA-N
InChIInChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@H](O)[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1 Image of MNXM163130
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:13]3[C:12]4=[CH:5][CH:3]=[C:11]([OH:19])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:15]1[CH2:9][C@H:16]([OH:20])[C@@H:17]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87620
chebi:87620
PROQIPRRNZUXQM-ZMSHIADSSA-N 		16beta,17beta-estriol
(16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol
16-Epiestriol
16beta-hydroxyestradiol
Actriol
Epioestriolum
Estra-1,3,5(10)-triene-3,16beta,17beta-triol
epiestriol
epiestriolum
estra-1(10),2,4-triene-3,16beta,17beta-triol
estra-1,3,5(10)-triene-3,16beta,17-triol
estra-1,3,5(10)-triene-3,16beta,17beta-triol

lipidmaps:LMST02010006
lipidmapsM:LMST02010006
PROQIPRRNZUXQM-ZMSHIADSSA-N 		16-Epiestriol
16-epioestriol
O3
ST 18:3
estra-1,3.5(10)-triene-3,16beta,17beta-triol
hmdb:HMDB0000347
PROQIPRRNZUXQM-ZMSHIADSSA-N 		16b-Hydroxyestradiol
(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol
(16beta,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol
(1S,10R,11S,13S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol
16 alpha Hydroxy estradiol
16-Epi-estriol
16-Epiestratriol
16-Epiestriol
16-alpha-Hydroxy-estradiol
16alpha,17beta Estriol
16alpha,17beta-Estriol
16b,17b-Estriol
16b-Hydroxy-17b-estradiol
16beta Hydroxy estradiol
16beta,17beta-Estriol
16beta,17beta-estriol
16beta-Hydroxy-17beta-estradiol
16beta-Hydroxy-estradiol
16beta-hydroxy-17beta-estradiol
16beta-hydroxyestradiol
Actriol
Epiestriol
Epiestriolum
Epioestriolum
Estra-1,3,5(10)-triene-3,16b,17-triol
Estra-1,3,5(10)-triene-3,16b,17b-triol
Estra-1,3,5(10)-triene-3,16beta,17-triol
Estra-1,3,5(10)-triene-3,16beta,17beta-triol
Estriol
Ovestin

SLM:000501377
slm:000501377
PROQIPRRNZUXQM-ZMSHIADSSA-N 		16beta-hydroxy-17beta-estradiol

hmdb:HMDB00347 		secondary/obsolete/fantasy identifier