input word = C00008106

Metabolite InformationStructural formula
Name Sanggenon E
Formula C45H44O12
Mw 776.28327687
CAS RN 81381-69-3
C_ID C00008106 ,
InChIKey CUJJTBMGUHNKPO-GXQCSOQPNA-N
InChICode InChI=1S/C45H44O12/c1-21(2)6-9-27-32(48)13-11-28(40(27)51)41(52)37-29(26-10-7-24(46)18-33(26)49)16-23(5)17-30(37)38-34(50)20-36-39(42(38)53)43(54)44(15-14-22(3)4)45(55,57-36)31-12-8-25(47)19-35(31)56-44/h6-8,10-14,17-20,29-30,37,46-51,53,55H,9,15-16H2,1-5H3/t29-,30-,37-,44+,45-/m1/s1
SMILES C1[C@@H]([C@H]([C@@H](C=C1C)c1c(c2c(cc1O)O[C@]1([C@](C2=O)(Oc2c1ccc(c2)O)CC=C(C)C)O)O)C(=O)c1ccc(c(c1O)CC=C(C)C)O)c1c(cc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
PlantaeMoraceaeMorus mongolica Ref.
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