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4-Deacetylneosolaniol

PropertiesImage
MNX_IDMNXM117857 Image of MNXM117857
referencechebi:169236
formulaC17H24O7
global charge0
mol weight340.372
InChIKeyFCLYQYOJLQDQNA-BNWDXEGFSA-N
InChIInChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1
SMILESCC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2
MNX internals
InChI (mnx)InChI=1/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1 Image of MNXM117857
SMILES (mnx)[CH3:1][C:8]1=[CH:4][C@@H:11]2[C@:16]([CH2:6][O:22][C:9]([CH3:2])=[O:18])([CH2:5][C@@H:10]1[OH:19])[C@@:15]1([CH3:3])[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:14]([C@@:17]13[CH2:7][O:23]3)[O:24]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169236
chebi:169236
FCLYQYOJLQDQNA-BNWDXEGFSA-N 		4-Deacetylneosolaniol
[(1S,2R,4S,7R,9R,10R,11S,12S)-4,10,11-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
hmdb:HMDB0036158
FCLYQYOJLQDQNA-UHFFFAOYSA-N 		4-Deacetylneosolaniol
(Z)-Laquo gammaraquo -bisabolene
4',10',11'-trihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate
4-Desacetylneosolaniol
TMR 1
{4',10',11'-trihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-yl}methyl acetic acid

hmdb:HMDB36158 		secondary/obsolete/fantasy identifier