input word = C00032393

Metabolite InformationStructural formula
Name Tricalysioside F
(-)-Tricalysioside F
Formula C28H40O11
Mw 552.25706212
CAS RN 438632-48-5
C_ID C00032393 ,
InChIKey BPBHKHLPQTYQOU-XYOJMMBRNA-N
InChICode InChI=1S/C28H40O11/c1-13(31)36-25-27-8-5-16-15-9-20(32)37-17(15)6-7-26(16,2)19(27)4-3-14(10-27)28(25,12-30)39-24-23(35)22(34)21(33)18(11-29)38-24/h9,14,16-19,21-25,29-30,33-35H,3-8,10-12H2,1-2H3/t14-,16-,17-,18-,19+,21-,22+,23-,24+,25-,26-,27-,28+/m1/s1
SMILES C1[C@@H]2C[C@]3([C@@H](C1)[C@]1([C@H](CC3)C3=CC(=O)O[C@@H]3CC1)C)[C@H]([C@]2(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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