cornusiin E
Chemical Formula:
C82H58O52
Molecular Weight:
1875.329 Daltons
Monoisotopic Mass:
1874.1894122110002 Daltons
SMILES:
C8(OC(=O)C%14(C(C%13(C(O)=C(C(OC1(C(=CC(O)=C(O)C(O)=1)C(=O)OC6(C(OC(=O)C2(C=C(O)C(O)=C(O)C=2))C4(OC(C3(=C(C(O)=C(C(=C3)O)O)C7(C(C(OCC4OC(OC(C5(C=C(O)C(O)=C(O)C=5))=O)6)=O)=CC(O)=C(O)C(O)=7)))=O))))=CC(C(=O)OC%12(C8OC(OC(C9(C=C(O)C(O)=C(O)C=9))=O)C(OC(=O)C%10(C=C(O)C(O)=C(O)C=%10))C(OC(=O)C%11(C=C(O)C(O)=C(O)C=%11))%12))=%13)O))=C(O)C(O)=C(O)C=%14))
InChI:
1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-74(115)21-7-34(89)52(100)35(90)8-21)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)16-123-77(118)24-12-39(94)55(103)60(108)46(24)48-26(79(120)128-65)15-42(58(106)62(48)110)124-64-27(14-41(96)57(105)63(64)111)80(121)132-70-68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82(70)134-75(116)22-9-36(91)53(101)37(92)10-22)17-122-76(117)23-11-38(93)54(102)59(107)45(23)47-25(78(119)127-66)13-40(95)56(104)61(47)109/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-8950
PubChem (CID):
91820328
Seed:
cpd25506
MetaNetX:
MNXM16844