input word = C00034180

Metabolite InformationStructural formula
Name Pteleopsoside
(+)-Pteleopsoside
Formula C42H68O17
Mw 844.44565075
CAS RN 1068050-46-3
C_ID C00034180 ,
InChIKey JOKVVRUAXMLZHZ-VCWZSGGHNA-N
InChICode InChI=1S/C42H68O17/c1-37(2)10-12-41(36(54)55)13-11-39(4)19(25(41)32(37)53)6-7-23-38(3)14-20(47)33(42(17-45,18-46)24(38)8-9-40(23,39)5)59-35-31(29(51)27(49)22(16-44)57-35)58-34-30(52)28(50)26(48)21(15-43)56-34/h6,20-35,43-53H,7-18H2,1-5H3,(H,54,55)/t20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40-,41+/m1/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaePteleopsis hylodendron Ref.
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OrganismPteleopsis hylodendron
ReferenceAtta-Ur-Rahman,Phytochem.,69,(2008),2400