input word = C00035763

Metabolite InformationStructural formula
Name Tenacissoside I
(-)-Tenacissoside I
Formula C44H62O14
Mw 814.41395669
CAS RN 191729-44-9
C_ID C00035763 ,
InChIKey HXIHLBDNTFYMIC-QQVWVLCBNA-N
InChICode InChI=1S/C44H62O14/c1-22(45)29-16-19-44-42(29,6)38(54-25(4)46)36(56-39(49)26-12-10-9-11-13-26)37-41(5)17-15-28(20-27(41)14-18-43(37,44)58-44)55-31-21-30(50-7)34(24(3)52-31)57-40-33(48)35(51-8)32(47)23(2)53-40/h9-13,23-24,27-38,40,47-48H,14-21H2,1-8H3/t23-,24-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42+,43+,44-/m1/s1
SMILES CO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@]57CC[C@@H](C(C)=O)[C@@]7(C)[C@H](OC(C)=O)[C@@H](OC(=O)c5ccccc5)[C@H]46)C3)C[C@H]2OC)O[C@H](C)[C@H]1O
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