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6beta-hydroxyestradiol-17beta

PropertiesImage
MNX_IDMNXM3881 Image of MNXM3881
referencechebi:16784
formulaC18H24O3
global charge0
mol weight288.387
InChIKeyQZZRQURPSRWTLG-UXCAXZQLSA-N
InChIInChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=CC=C(O)C=C4[C@H](O)C[C@H]3[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1 Image of MNXM3881
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:12]3[C:11]4=[C:14]([CH:8]=[C:10]([OH:19])[CH:2]=[CH:3]4)[C@H:16]([OH:20])[CH2:9][C@H:13]3[C@@H:15]1[CH2:4][CH2:5][C@@H:17]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16784
chebi:16784
QZZRQURPSRWTLG-UXCAXZQLSA-N 		6beta-hydroxyestradiol-17beta
6beta-Hydroxyestradiol-17beta
6beta-hydroxy-17beta-estradiol
estra-1,3,5(10)-triene-3,6beta,17beta-triol

kegg.compound:C03935
keggC:C03935
QZZRQURPSRWTLG-UXCAXZQLSA-N 		6beta-Hydroxy-17beta-estradiol
6beta-Hydroxyestradiol-17beta

metacyc.compound:CPD-1077
metacycM:CPD-1077
QZZRQURPSRWTLG-UXCAXZQLSA-N 		6beta-Hydroxyestradiol-17beta

seed.compound:cpd02447
seedM:cpd02447
QZZRQURPSRWTLG-UXCAXZQLSA-N 		6beta-Hydroxyestradiol-17beta
6beta-Hydroxy-17beta-estradiol

lipidmaps:LMST02010031
lipidmapsM:LMST02010031
QZZRQURPSRWTLG-UXCAXZQLSA-N 		6beta-Hydroxyestradiol-17beta
O3
ST 18:3
estra-1,3,5(10)-triene-3,6beta,17beta-triol

SLM:000485706
slm:000485706
QZZRQURPSRWTLG-UXCAXZQLSA-N 		6beta-hydroxyestradiol-17beta

chebi:12238
chebi:20762
chebi:2242
keggC:M_C03935
seedM:M_cpd02447 		secondary/obsolete/fantasy identifier