input word = C00032244

Metabolite InformationStructural formula
Name Sublanceoside L1
(-)-Sublanceoside L1
Formula C60H94O24
Mw 1198.61350393
CAS RN 923021-38-9
C_ID C00032244 ,
InChIKey FIONDOIVVHAFQB-WRWUCCJLNA-N
InChICode InChI=1S/C60H94O24/c1-26-33(16-17-72-26)34-14-15-36-35(50(34)64)13-12-32-18-39(38(63)24-60(32,36)7)78-46-20-40(68-8)56(28(3)74-46)82-48-22-42(70-10)55(29(4)76-48)81-45-19-37(62)54(27(2)73-45)80-47-21-41(69-9)57(30(5)75-47)83-49-23-43(71-11)58(31(6)77-49)84-59-53(67)52(66)51(65)44(25-61)79-59/h12,16-17,27-31,34-49,51-59,61-63,65-67H,13-15,18-25H2,1-11H3/t27-,28-,29+,30-,31+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,51-,52+,53-,54-,55-,56-,57-,58+,59+,60+/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)OC)O[C@H]1C[C@H]([C@@H]([C@@H](O1)C)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)OC)C)OC)C)C)c1c(occ1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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