input word = C00032633

Metabolite InformationStructural formula
Name 3-(E)-Coumaroylbetulin-28-yl-ethyl (2R)-2-hydroxysuccinate
(+)-3-(E)-Coumaroylbetulin-28-yl-ethyl (2R)-2-hydroxysuccinate
Formula C45H64O8
Mw 732.46011902
CAS RN 302944-08-7
C_ID C00032633 ,
InChIKey JQPRYSSYMOFCLC-UGPKWWLSNA-N
InChICode InChI=1S/C45H64O8/c1-9-51-38(49)26-33(47)40(50)52-27-45-23-18-31(28(2)3)39(45)32-15-16-35-42(6)21-20-36(53-37(48)17-12-29-10-13-30(46)14-11-29)41(4,5)34(42)19-22-44(35,8)43(32,7)24-25-45/h10-14,17,31-36,39,46-47H,2,9,15-16,18-27H2,1,3-8H3/b17-12+/t31-,32+,33+,34-,35+,36-,39-,42+,43+,44+,45+/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@]1(CC[C@@H](C3(C)C)OC(=O)/C=C/c1ccc(cc1)O)C)C)C)(CC[C@H]2C(=C)C)COC(=O)[C@@H](CC(=O)OCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros maritima Ref.
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