input word = C00045397

Metabolite InformationStructural formula
Name Saprosmoside C
(-)-Saprosmoside C
Formula C34H42O21S
Mw 818.19392914
CAS RN 438239-46-4
C_ID C00045397 ,
InChIKey SSONCXFOGTVDNE-VVQFEXBQNA-N
InChICode InChI=1S/C34H42O21S/c1-56-34(46)49-7-11-3-15-21-13(28(44)50-15)9-48-31(19(11)21)55-33-26(43)27(23(40)17(6-37)52-33)53-29(45)12-8-47-30(18-10(4-35)2-14(38)20(12)18)54-32-25(42)24(41)22(39)16(5-36)51-32/h2-3,8-9,14-27,30-33,35-43H,4-7H2,1H3/t14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+,30+,31+,32+,33+/m1/s1
SMILES CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](OC(=O)C5=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]6C(CO)=C[C@H](O)[C@H]56)[C@H]4O)[C@H]1[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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