Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

ajubractin A

PropertiesImageOccurences in reactions
MNX_IDMNXM102410Image of MNXM102410
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC29H42O9
charge0
mass534.28288
referencechebi:67457
InChIKeyOLCVSVNALLDZGQ-IOTHXJBKSA-N
InChIInChI=1S/C29H42O9/c1-7-16(2)25(32)37-22-9-8-21-27(6,23-13-20-10-11-33-26(20)38-23)17(3)12-24(36-19(5)31)28(21,14-34-18(4)30)29(22)15-35-29/h10-11,16-17,20-24,26H,7-9,12-15H2,1-6H3/t16?,17-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1
SMILESCCC(C)C(=O)O[C@H]1CC[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67457
chebi:67457 		ajubractin A
(1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate
3beta-[(2-methyl)butyryloxy]clerodin