input word = C00032245

Metabolite InformationStructural formula
Name Sublanceoside L2
(-)-Sublanceoside L2
Formula C61H96O26
Mw 1244.61898324
CAS RN 923021-39-0
C_ID C00032245 ,
InChIKey SSASJCXIJKAJQX-TXNUKBNXNA-N
InChICode InChI=1S/C61H96O26/c1-26-53(83-46-19-39(70-9)56(29(4)77-46)86-48-21-41(72-11)57(30(5)79-48)87-59-52(67)51(66)50(65)42(23-62)82-59)35(63)17-44(75-26)84-54-28(3)78-47(20-40(54)71-10)85-55-27(2)76-45(18-38(55)69-8)80-37-16-32-13-14-33-34(60(32,6)22-36(37)64)15-12-31-24-73-61(7)49(31)43(25-74-61)81-58(33)68/h13,24,26-30,33-57,59,62-67H,12,14-23,25H2,1-11H3/t26-,27-,28+,29-,30+,33-,34+,35+,36-,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50+,51+,52-,53+,54-,55-,56-,57+,59+,60+,61+/m1/s1
SMILES O([C@@H]1O[C@@H](C)[C@H](O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[C@H](OC)C1)[C@H]1[C@H](C[C@H](O[C@H]2[C@H](O[C@@H](O[C@H]3[C@@H](C[C@H](O[C@@H]4[C@H](O[C@@H](O[C@@H]5CC6=CC[C@H]7C(=O)O[C@H]8[C@H]9C(=CO[C@]9(OC8)C)CC[C@@H]7[C@]6(C[C@H]5O)C)C[C@@H]4OC)C)O[C@H]3C)OC)C[C@@H]2O)C)O[C@@H]1C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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