input word = C00049677

Metabolite InformationStructural formula
Name Sinomarinoside E
(+)-Sinomarinoside E
Formula C47H74O17
Mw 910.49260094
CAS RN 235426-93-4
C_ID C00049677 ,
InChIKey SEHLSTYBVDGWKM-IQERWXOSNA-N
InChICode InChI=1S/C47H74O17/c1-12-23(2)41(51)62-33-22-32-43(7)15-14-29(19-28(43)13-16-46(32,53)47(54)18-17-45(52,27(6)48)44(33,47)8)61-34-20-30(55-9)38(25(4)58-34)63-35-21-31(56-10)39(26(5)59-35)64-42-37(50)40(57-11)36(49)24(3)60-42/h12-13,24-26,29-40,42,49-50,52-54H,14-22H2,1-11H3/b23-12+/t24-,25-,26-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,39-,40+,42+,43+,44-,45-,46+,47-/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC)[C@H]6O)[C@@H](C)O5)[C@@H](C)O4)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinomarsdenia incisa Ref.
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