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calotropone

PropertiesImageOccurences in reactions
MNX_IDMNXM103459Image of MNXM103459
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H36O6
charge0
mass468.25119
referencechebi:65568
InChIKeyLFDIXHMYXFFMFD-QQYZDZQSSA-N
InChIInChI=1S/C28H36O6/c1-17(29)27(32)13-14-28(33)21-10-9-19-15-20(30)11-12-25(19,2)22(21)16-23(26(27,28)3)34-24(31)18-7-5-4-6-8-18/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21+,22-,23+,25-,26+,27+,28-/m0/s1
SMILESCC(=O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:65568
chebi:65568 		calotropone
(3beta,12beta,14beta,17alpha)-3,14,17-trihydroxy-20-oxopregn-5-en-12-yl benzoate
12beta-O-benzoyl-3beta,14beta,17beta-trihydroxypregnane-20-one
12beta-benzoyloxy-3beta,14beta,17beta-trihydroxypregnane-20-one
3beta,14beta,17-trihydroxy-20-oxo-17alpha-pregn-5-en-12beta-yl benzoate