input word = C00032391

Metabolite InformationStructural formula
Name Tricalysioside D
(-)-Tricalysioside D
Formula C31H46O13
Mw 626.29384156
CAS RN 438632-46-3
C_ID C00032391 ,
InChIKey IRNYTXGZROFQNV-XBERBFLXNA-N
InChICode InChI=1S/C31H46O13/c1-28-6-5-18-16(8-21(34)42-18)17(28)4-7-29-9-15(2-3-20(28)29)31(11-29,13-33)44-26-24(37)23(36)22(35)19(43-26)10-40-27-25(38)30(39,12-32)14-41-27/h8,15,17-20,22-27,32-33,35-39H,2-7,9-14H2,1H3/t15-,17?,18-,19-,20+,22-,23+,24-,25+,26+,27-,28-,29?,30-,31+/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]1OC[C@@]([C@H]1O)(CO)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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