input word = C00032228

Metabolite InformationStructural formula
Name Sublanceoside E3
(-)-Sublanceoside E3
Formula C40H60O14
Mw 764.39830663
CAS RN 923021-20-9
C_ID C00032228 ,
InChIKey OCEXOAWTZQOMCE-AUKWTPMDNA-N
InChICode InChI=1S/C40H60O14/c1-19-25(11-13-48-19)40(45)12-10-26-24(38(40)44)9-8-23-14-29(28(42)18-39(23,26)5)52-33-17-31(47-7)37(22(4)51-33)54-32-15-27(41)36(21(3)50-32)53-34-16-30(46-6)35(43)20(2)49-34/h8,11,13,20-22,24,26-37,41-43,45H,9-10,12,14-18H2,1-7H3/t20-,21+,22+,24+,26-,27-,28+,29+,30+,31-,32-,33-,34-,35-,36+,37+,39-,40-/m0/s1
SMILES C1[C@@](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)OC)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)O)C)C)(c1c(occ1)C)O
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