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macabarterin

PropertiesImageOccurences in reactions
MNX_IDMNXM106369Image of MNXM106369
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC46H38O32
charge0
mass1102.13462
referencechebi:66646
InChIKeyVISRMSOIXCRLBK-KEUKPHDASA-N
InChIInChI=1S/C46H38O32/c47-13-1-9(2-14(48)23(13)53)35(59)77-39-32-31-29(19(72-39)7-70-36(60)10-3-15(49)24(54)27(57)20(10)21-11(37(61)73-31)4-16(50)25(55)28(21)58)75-41(63)42-8-43(64)34(18(52)6-71-43)76-40(42)44(65,66)46(68,69)45(67)33(42)22-12(38(62)74-32)5-17(51)26(56)30(22)78-45/h1-5,18-19,29,31-34,39-40,47-58,64-69H,6-8H2/t18-,19-,29-,31+,32-,33-,34+,39+,40+,42-,43+,45-/m1/s1
SMILESO=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@@H]1[C@@]5(C[C@]6(O)OC[C@@H](O)[C@@H]6O[C@@H]5C(O)(O)C(O)(O)[C@]1(O)O4)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:66646
chebi:66646 		macabarterin
(2aS,3aS,4R,6aS,7aR,9aR,10R,23aS,24R,30aR,30bR,31S)-1,1,2,2,4,6a,15,16,17,18,19,20,28,29,30a-pentadecahydroxy-8,13,22,26-tetraoxo-1,2,2a,4,5,6a,7,10,11,13,22,23a,24,26,30a,30b-hexadecahydro-3aH,9aH-10,24-(epoxymethano)-3,6,9,12,23,25,30-heptaoxadibenzo[7',8':9',10']cyclododeca[1',2':8,9]cycloundeca[1,2,3,4-def]indeno[5,6-c]fluoren-31-yl 3,4,5-trihydroxybenzoate
metacyc.compound:CPD-17771
metacycM:CPD-17771
seed.compound:cpd34777
seedM:cpd34777 		macabarterin
seedM:M_cpd34777 secondary/obsolete/fantasy identifier