input word = C00037897

Metabolite InformationStructural formula
Name Tenuifoliose H
Formula C61H74O34
Mw 1350.40614952
CAS RN 147742-13-0
C_ID C00037897 ,
InChIKey XIFPYQUNAMJPOH-IWGRKNQJNA-N
InChICode InChI=1S/C61H74O34/c1-27(65)81-24-38-50(84-29(3)67)52(90-57-47(77)45(75)42(72)35(21-62)85-57)49(79)59(87-38)91-53-51(89-41(71)20-14-31-11-17-34(69)18-12-31)39(25-82-28(2)66)88-60(54(53)92-58-48(78)46(76)43(73)36(22-63)86-58)95-61(26-83-40(70)19-13-30-9-15-33(68)16-10-30)55(44(74)37(23-64)94-61)93-56(80)32-7-5-4-6-8-32/h4-20,35-39,42-55,57-60,62-64,68-69,72-79H,21-26H2,1-3H3/b19-13+,20-14+/t35-,36+,37+,38+,39+,42+,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54+,55-,57+,58+,59-,60-,61+/m1/s1
SMILES [C@H]1([C@@H](O[C@@H]([C@H]([C@H]1O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)C)COC(=O)C)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@]1(O[C@H]([C@H]([C@H]1OC(=O)c1ccccc1)O)CO)COC(=O)/C=C/c1ccc(cc1)O)COC(=O)C)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala amarella Ref.
PlantaePolygalaceaePolygala tenuifolia Willd. Ref.
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OrganismPolygala amarella
ReferenceYang, et al., CTHD, 33, (2002), 954