input word = C00040997

Metabolite InformationStructural formula
Name Hovetrichoside H
(+)-Hovetrichoside H
Formula C36H54O12
Mw 678.36152719
CAS RN 220623-86-9
C_ID C00040997 ,
InChIKey BYLFJKWGLXIRHU-OXPRGOTHNA-N
InChICode InChI=1S/C36H54O12/c1-16(2)17-9-12-35(31(46)48-29-26(40)25(39)24(38)19(15-37)47-29)13-14-36(30(44)45)18(22(17)35)7-8-21-33(36,5)11-10-20-32(3,4)27(41)23(28(42)43)34(20,21)6/h17-27,29,37-41H,1,7-15H2,2-6H3,(H,42,43)(H,44,45)/t17-,18+,19+,20-,21-,22-,23+,24+,25-,26+,27-,29-,33+,34-,35-,36+/m0/s1
SMILES [C@@]12([C@@H](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@]3([C@H]1[C@@H](CC3)C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)O)C)C([C@H]([C@@H]2C(=O)O)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia trichocarea Ref.
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