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Castacrenin G

PropertiesImageOccurences in reactions
MNX_IDMNXM120327Image of MNXM120327
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC54H28O32
charge0
mass1188.05637
referencehmdb:HMDB0031895
InChIKeyIVKFUZPXWZMSIV-UHFFFAOYSA-N
InChIInChI=1S/C54H28O32/c55-10-1-6-15(32(63)28(10)59)16-7(2-11(56)29(60)33(16)64)49(74)81-40-14(5-79-47(6)72)80-48(73)8-3-12(57)30(61)34(65)17(8)19-22-20(36(67)38(69)35(19)66)24-27-53(78)84-44(45(40)85-51(22)76)26-25-23-21-18-9(4-13(58)31(62)41(18)83-52(23)77)50(75)82-42(21)39(70)43(25)86-54(26,27)46(71)37(24)68/h1-4,14,26-27,40,44-45,55-70H,5H2
SMILESO=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)C2C4=C(O)C(=O)C23Oc2c(O)c4oc(=O)c5cc(O)c(O)c6oc(=O)c(c2C13)c4c65
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0031895 Castacrenin G
7,8,9,12,13,14,25,26,27,30,31,32,35,40,46,47-hexadecahydroxy-3,18,21,38,49,55,58,62-octaoxatetradecacyclo[27.25.3.3³⁴,⁵⁴.2⁴¹,⁴⁴.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁵⁷.0³⁷,⁵³.0³⁹,⁵².0⁴²,⁵¹.0⁴³,⁴⁸.0³⁷,⁶⁰]dohexaconta-5(10),6,8,11(16),12,14,23,25,27,29,31,33(57),34,39,41,43(48),44,46,51-nonadecaen-4,17,22,36,50,56,59,61-octone
hmdb:HMDB31895 secondary/obsolete/fantasy identifier