input word = C00032388

Metabolite InformationStructural formula
Name Tricalysioside A
(-)-Tricalysioside A
Formula C26H38O10
Mw 510.24649744
CAS RN 438632-42-9
C_ID C00032388 ,
InChIKey JBJQQLIERNHTTN-IQRVWUOJNA-N
InChICode InChI=1S/C26H38O10/c1-24-6-5-15-13(8-18(29)34-15)14(24)4-7-25-9-12(2-3-17(24)25)26(11-28,23(25)33)36-22-21(32)20(31)19(30)16(10-27)35-22/h8,12,14-17,19-23,27-28,30-33H,2-7,9-11H2,1H3/t12-,14-,15-,16-,17+,19-,20+,21-,22+,23-,24-,25-,26+/m1/s1
SMILES C[C@@]12CC[C@H]3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@](CO)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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