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31-O-desmethylFK-506

PropertiesImageOccurences in reactions
MNX_IDMNXM14645Image of MNXM14645
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
formulaC43H67NO12
charge0
mass789.46633
referencemetacycM:CPD-10014
InChIKeyVHOPGJHKSPGXIZ-AMASXYNMSA-N
InChIInChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+
SMILESC=CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(O)C(O)C3)C(C)C(O)CC1=O)C(C)CC2OC
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-10014
metacycM:CPD-10014 		31-O-desmethylFK-506
31-O-demethylFK-506
bigg.metabolite:31dmt
biggM:31dmt 		31-DMT or M-II, 31-O-desmethyl tacrolimus
seed.compound:cpd22530
seedM:cpd22530 		31-O-demethylFK-506
31-O-desmethylFK-506
biggM:M_31dmt
seedM:M_cpd22530 		secondary/obsolete/fantasy identifier