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ajugacumbin F

PropertiesImageOccurences in reactions
MNX_IDMNXM102427Image of MNXM102427
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC25H38O7
charge0
mass450.26175
referencechebi:69873
InChIKeyMIOANCGOVTTWSH-DONKYKGPSA-N
InChIInChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-25-19(7-6-9-24(25,30)14-26)23(4,17(3)11-20(25)27)10-8-18-12-21(28)31-13-18/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@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CO
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IdentifierDescription
CHEBI:69873
chebi:69873
ajugacumbin F
[(1S,2R,4S,4aR,5R,8aR)-4,5-dihydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydronaphthalen-4a(2H)-yl]methyl (2E)-2-methylbut-2-enoate