input word = C00032394

Metabolite InformationStructural formula
Name Tricalysioside G
(-)-Tricalysioside G
Formula C28H40O11
Mw 552.25706212
CAS RN 438632-49-6
C_ID C00032394 ,
InChIKey NCRXSARBPOHZRZ-VMCDFDILNA-N
InChICode InChI=1S/C28H40O11/c1-13(30)37-25-27-8-5-16-15-9-20(31)38-17(15)6-7-26(16,2)19(27)4-3-14(10-27)28(25,35)12-36-24-23(34)22(33)21(32)18(11-29)39-24/h9,14,16-19,21-25,29,32-35H,3-8,10-12H2,1-2H3/t14-,16-,17-,18-,19+,21-,22+,23-,24-,25-,26-,27-,28+/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@H]([C@]2(O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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