input word = C00045105

Metabolite InformationStructural formula
Name Ternstroemiaside F
(-)-Ternstroemiaside F
Formula C65H106O32
Mw 1398.66672129
CAS RN 625081-45-0
C_ID C00045105 ,
InChIKey VUSAXLGNQFOPNO-ADXIUHOJNA-N
InChICode InChI=1S/C65H106O32/c1-24-35(71)40(76)45(81)55(88-24)96-51-43(79)39(75)30(21-68)91-58(51)93-48-47(83)49(53(84)85)94-59(52(48)97-56-46(82)41(77)37(73)28(19-66)89-56)92-34-12-13-62(6)31(61(34,4)5)11-14-63(7)32(62)10-9-25-26-17-60(2,3)15-16-65(26,33(70)18-64(25,63)8)23-87-57-50(42(78)38(74)29(20-67)90-57)95-54-44(80)36(72)27(69)22-86-54/h9,24,26-52,54-59,66-83H,10-23H2,1-8H3,(H,84,85)/t24-,26-,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50+,51+,52+,54-,55-,56-,57+,58-,59+,62-,63+,64+,65+/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@@H]([C@H]([C@@H](O1)C)O)O)O)O)CO)O)C(=O)O)C)C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeTernstroemia japonica Ref.
--Ternstromia japonica Ref.
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