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 C1(CC[C@]2([C@@H]([C@@H]1O)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(C[C@H]([C@@H](C1(CO)CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaePteleopsis hylodendron Ref.
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