input word = C00032241

Metabolite InformationStructural formula
Name Sublanceoside K1
(-)-Sublanceoside K1
Formula C54H84O19
Mw 1036.5606805
CAS RN 923021-35-6
C_ID C00032241 ,
InChIKey VKNJQJSHZVCRKD-BPJJZXCHNA-N
InChICode InChI=1S/C54H84O19/c1-25-32(16-17-63-25)33-14-15-35-34(49(33)58)13-12-31-18-38(37(56)24-54(31,35)7)69-44-21-40(60-9)52(28(4)66-44)73-47-23-42(62-11)51(29(5)68-47)71-43-19-36(55)50(27(3)65-43)70-46-22-41(61-10)53(30(6)67-46)72-45-20-39(59-8)48(57)26(2)64-45/h12,16-17,26-30,33-48,50-53,55-57H,13-15,18-24H2,1-11H3/t26-,27+,28+,29-,30+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-,45-,46-,47-,48-,50+,51+,52+,53+,54-/m0/s1
SMILES CO[C@H]1C[C@H](O[C@@H]2CC3=CC[C@H]4C(=O)[C@@H](c5ccoc5C)CC[C@@H]4[C@@]3(C)C[C@H]2O)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@@H](O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@H](C)O1
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