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CHEBI:145907 - cornusiin E(4−)

Default Structure
ChEBI IDCHEBI:145907
ChEBI Namecornusiin E(4−)
Stars
ASCII Namecornusiin E(4-)
Last Modified14 March 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC82H54O52
Net Charge-4
Average Mass1871.282
Monoisotopic Mass1870.16031
SMILESO=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O[C@@H]5O[C@@H]6COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7[O-])C(=O)O[C@H]6[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c([O-])c4O)c([O-])c3[O-])C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-66-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)16-122-77(118)24-12-39(94)55(103)60(108)46(24)48-26(79(120)128-66)15-42(58(106)62(48)110)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)65-44(126-82)17-123-76(117)23-11-38(93)54(102)59(107)45(23)47-25(78(119)127-65)13-40(95)56(104)61(47)109/h1-15,43-44,65-70,81-111H,16-17H2/p-4/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1
InChIKeyQFXITXVOJCXDCJ-YLVKXZTISA-J
ChEBI Ontology
Outgoing Relation(s)
cornusiin E(4−) (CHEBI:145907) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
cornusiin EUniProt
Manual XrefsDatabases
CPD-8950MetaCyc
Citations