input word = C00032405

Metabolite InformationStructural formula
Name Tricalysioside R
(-)-Tricalysioside R
Formula C28H46O10
Mw 542.30909769
CAS RN 1002111-57-0
C_ID C00032405 ,
InChIKey KWPDXYPLYBUWEY-IKZDZYNHNA-N
InChICode InChI=1S/C28H46O10/c1-14(30)37-24-27-10-7-17-25(2,3)19(31)8-9-26(17,4)18(27)6-5-15(11-27)28(24,35)13-36-23-22(34)21(33)20(32)16(12-29)38-23/h15-24,29,31-35H,5-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,26-,27-,28+/m1/s1
SMILES C1[C@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@@H](CC1)[C@]([C@@H]3OC(=O)C)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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