input word = C00032401

Metabolite InformationStructural formula
Name Tricalysioside N
(-)-Tricalysioside N
Formula C28H46O11
Mw 558.30401231
CAS RN 874332-46-4
C_ID C00032401 ,
InChIKey AQZMLCVPMIEPDF-XIBKKBRQNA-N
InChICode InChI=1S/C28H46O11/c1-14(31)38-24-27-9-6-17-25(2,8-7-19(32)26(17,3)12-30)18(27)5-4-15(10-27)28(24,36)13-37-23-22(35)21(34)20(33)16(11-29)39-23/h15-24,29-30,32-36H,4-13H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23-,24-,25-,26+,27-,28+/m1/s1
SMILES C1[C@H]([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)O
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