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14-hydroxy-4,14-retro-retinol

PropertiesImage
MNX_IDMNXM165537 Image of MNXM165537
referencebiggM:CE5013
formulaC20H30O2
global charge0
mol weight302.458
InChIKeyPCRZONNRANOQPA-WBWVJYLOSA-N
InChIInChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12-
SMILESCC1=CCCC(C)(C)/C1=C\C=C(C)\C=C\C=C(/C)C(O)CO
MNX internals
InChI (mnx)InChI=1/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12-/t19? Image of MNXM165537
SMILES (mnx)[CH3:1][C:15](/[CH:8]=[CH:6]/[CH:9]=[C:17](\[CH3:3])[CH:19]([CH2:14][OH:21])[OH:22])=[CH:11]\[CH:12]=[C:18]1\[C:16]([CH3:2])=[CH:10][CH2:7][CH2:13][C:20]1([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5013
biggM:CE5013
vmhM:CE5013
vmhmetabolite:CE5013
PCRZONNRANOQPA-WBWVJYLOSA-N
14-hydroxy-4,14-retro-retinol

biggM:M_CE5013
vmhM:M_CE5013
secondary/obsolete/fantasy identifier