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ajugaciliatin J

PropertiesImageOccurences in reactions
MNX_IDMNXM102424Image of MNXM102424
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC25H38O7
charge0
mass450.26175
referencechebi:69871
InChIKeyMKJOVGRMTQOYAQ-DONKYKGPSA-N
InChIInChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-24(30)9-6-7-19-23(4,10-8-18-12-21(28)31-13-18)17(3)11-20(27)25(19,24)14-26/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/b16-5+/t17-,19-,20+,23+,24+,25+/m1/s1
SMILESC/C=C(\C)C(=O)OC[C@@]1(O)CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21CO
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:69871
chebi:69871 		ajugaciliatin J
4alpha,6alpha,19-trihydroxy-18-tigloyloxyneo-clerod-13-en-15,16-olide
{(1R,4aR,5S,6R,8S,8aR)-1,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl (2E)-2-methylbut-2-enoate