input word = C00032225

Metabolite InformationStructural formula
Name Sublanceoside D1
(-)-Sublanceoside D1
Formula C45H68O18
Mw 896.44056537
CAS RN 923021-17-4
C_ID C00032225 ,
InChIKey GMSPDUQETVRLLW-CAHLIBOPNA-N
InChICode InChI=1S/C45H68O18/c1-19-24(11-12-55-19)25-9-10-27-26(37(25)50)8-7-23-13-31(30(49)17-45(23,27)5)59-34-14-28(47)41(20(2)56-34)61-35-15-29(48)42(21(3)57-35)62-36-16-32(54-6)43(22(4)58-36)63-44-40(53)39(52)38(51)33(18-46)60-44/h7,11-12,20-22,25-36,38-44,46-49,51-53H,8-10,13-18H2,1-6H3/t20-,21-,22+,25-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,38-,39+,40-,41-,42-,43+,44+,45+/m1/s1
SMILES C1[C@@H](C(=O)[C@H]2[C@H](C1)[C@@]1(C(=CC2)C[C@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)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)CO)O)O)O)C)O)C)C)c1c(occ1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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OrganismCynanchum sublanceolatum
ReferenceWarashina,Chem.Pharm.Bull.,54,(2006),1551