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preluffariellolide A

PropertiesImage
MNX_IDMNXM149114 Image of MNXM149114
referencechebi:167177
formulaC25H44O2
global charge0
mol weight376.625
InChIKeyQUPQWMJLAYCBOI-VHJBELJQSA-N
InChIInChI=1S/C25H44O2/c1-20(11-8-13-22(3)16-19-26)10-7-12-21(2)14-15-23-24(4,5)17-9-18-25(23,6)27/h11-12,16,23,26-27H,7-10,13-15,17-19H2,1-6H3/b20-11+,21-12+,22-16+/t23-,25-/m0/s1
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC[C@H]1C(C)(C)CCC[C@]1(C)O
MNX internals
InChI (mnx)InChI=1/C25H44O2/c1-20(11-8-13-22(3)16-19-26)10-7-12-21(2)14-15-23-24(4,5)17-9-18-25(23,6)27/h11-12,16,23,26-27H,7-10,13-15,17-19H2,1-6H3/b20-11+,21-12+,22-16+/t23-,25-/m0/s1 Image of MNXM149114
SMILES (mnx)[CH3:1]/[C:20]([CH2:10][CH2:7]/[CH:12]=[C:21](\[CH3:2])[CH2:14][CH2:15][C@H:23]1[C:24]([CH3:4])([CH3:5])[CH2:17][CH2:9][CH2:18][C@:25]1([CH3:6])[OH:27])=[CH:11]\[CH2:8][CH2:13]/[C:22]([CH3:3])=[CH:16]/[CH2:19][OH:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167177
chebi:167177
QUPQWMJLAYCBOI-VHJBELJQSA-N 		preluffariellolide A
(1S,2S)-2-[(3E,7E,11E)-13-hydroxy-3,7,11-trimethyltrideca-3,7,11-trien-1-yl]-1,3,3-trimethylcyclohexan-1-ol
(1S,2S)-2-[(3E,7E,11E)-13-hydroxy-3,7,11-trimethyltrideca-3,7,11-trien-1-yl]-1,3,3-trimethylcyclohexanol

seed.compound:cpd34806
seedM:cpd34806
QUPQWMJLAYCBOI-VHJBELJQSA-N 		monocyclic sesterterpenediol

metacyc.compound:CPD-16982
metacycM:CPD-16982
QUPQWMJLAYCBOI-VHJBELJQSA-N 		preluffariellolide A
(1S,2S)-2-[(3E,7E,11E)-13-hydroxy-3,7,11-trimethyltrideca-3,7,11-trien-1-yl]-1,3,3-trimethylcyclohexanol

seedM:M_cpd34806 		secondary/obsolete/fantasy identifier