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 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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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