input word = C00032389

Metabolite InformationStructural formula
Name Tricalysioside B
(-)-Tricalysioside B
Formula C26H38O9
Mw 494.25158281
CAS RN 438632-44-1
C_ID C00032389 ,
InChIKey GPPWDBNOAOQQHD-OQQKRCNKNA-N
InChICode InChI=1S/C26H38O9/c1-24-6-5-16-14(8-19(29)33-16)15(24)4-7-25-9-13(2-3-18(24)25)26(11-25,12-28)35-23-22(32)21(31)20(30)17(10-27)34-23/h8,13,15-18,20-23,27-28,30-32H,2-7,9-12H2,1H3/t13-,15-,16-,17-,18+,20-,21+,22-,23+,24-,25+,26+/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[C@]2(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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