input word = C00032406

Metabolite InformationStructural formula
Name Tricalysioside S
(-)-Tricalysioside S
Formula C28H46O10
Mw 542.30909769
CAS RN 1002111-58-1
C_ID C00032406 ,
InChIKey AJBOEXBQXOZTLY-PDAUKKSXNA-N
InChICode InChI=1S/C28H46O10/c1-15(31)37-24-27-10-7-18-25(2,13-30)8-4-9-26(18,3)19(27)6-5-16(11-27)28(24,35)14-36-23-22(34)21(33)20(32)17(12-29)38-23/h16-24,29-30,32-35H,4-14H2,1-3H3/t16-,17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28+/m1/s1
SMILES C1C[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)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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OrganismTricalysia dubia OHWI
ReferenceOtuka,Chem.Pharm.Bull.,55,(2007),1600