input word = C00045110

Metabolite InformationStructural formula
Name Tomentoside A
(-)-Tomentoside A
Formula C47H76O17
Mw 912.508251
CAS RN 503301-94-8
C_ID C00045110 ,
InChIKey VMVPHUNGMCCDST-ITLJYILXNA-N
InChICode InChI=1S/C47H76O17/c1-20-10-16-47(43(58)64-42-37(56)34(53)32(51)26(19-49)61-42)17-11-24-23(30(47)21(20)2)8-9-28-45(24,6)14-12-27-44(4,5)29(13-15-46(27,28)7)62-40-38(57)35(54)39(22(3)59-40)63-41-36(55)33(52)31(50)25(18-48)60-41/h20-22,25-42,48-57H,8-19H2,1-7H3/t20-,21+,22-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,45+,46+,47+/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataAlariaceaeUndaria tomentosa Ref.
PlantaePaulowniaceaePaulownia tomentosa Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
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