input word = C00032390

Metabolite InformationStructural formula
Name Tricalysioside C
(-)-Tricalysioside C
Formula C26H38O9
Mw 494.25158281
CAS RN 438632-45-2
C_ID C00032390 ,
InChIKey KMSIYUDVKRWRNG-QJRIUSJHNA-N
InChICode InChI=1S/C26H38O9/c1-24-6-5-16-14(8-19(28)34-16)15(24)4-7-25-9-13(2-3-18(24)25)26(32,11-25)12-33-23-22(31)21(30)20(29)17(10-27)35-23/h8,13,15-18,20-23,27,29-32H,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(CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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