input word = C00035758

Metabolite InformationStructural formula
Name Tenacissoside A
Formula C48H74O19
Mw 954.48243018
CAS RN 107352-30-7
C_ID C00035758 ,
InChIKey WMJWIWLMIOMCKV-MRQMDCDXNA-N
InChICode InChI=1S/C48H74O19/c1-11-21(2)42(56)64-39-40-45(7)15-13-27(18-26(45)12-16-47(40)48(67-47)17-14-28(22(3)50)46(48,8)41(39)61-25(6)51)62-31-19-29(57-9)36(23(4)59-31)65-44-35(55)38(58-10)37(24(5)60-44)66-43-34(54)33(53)32(52)30(20-49)63-43/h11,23-24,26-41,43-44,49,52-55H,12-20H2,1-10H3/b21-11+/t23-,24-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36-,37-,38+,39+,40-,41-,43+,44+,45+,46+,47+,48-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@]3(CC2)[C@@]2([C@]([C@@H]([C@H]1OC(=O)/C(=C/C)/C)OC(=O)C)([C@@H](CC2)C(=O)C)C)O3)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C)O[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
PlantaeApocynaceaeMarsdenia tenacissima Ref.
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OrganismMarsdenia tenacissima
ReferenceDeng,Phytochem.,66,(2005),1040