input word = C00032392

Metabolite InformationStructural formula
Name Tricalysioside E
(-)-Tricalysioside E
Formula C32H48O14
Mw 656.30440624
CAS RN 438632-47-4
C_ID C00032392 ,
InChIKey NXJZDARFLHVZHG-LXXFVYEUNA-N
InChICode InChI=1S/C32H48O14/c1-30-6-5-17-15(8-21(35)43-17)16(30)4-7-31-9-14(2-3-20(30)31)32(12-31,13-34)46-29-27(41)25(39)23(37)19(45-29)11-42-28-26(40)24(38)22(36)18(10-33)44-28/h8,14,16-20,22-29,33-34,36-41H,2-7,9-13H2,1H3/t14-,16-,17-,18-,19-,20+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31?,32+/m1/s1
SMILES C[C@@]12CC[C@H]3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](CO)(O[C@@H]1O[C@H](COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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