input word = C00043925

Metabolite InformationStructural formula
Name Stansin 2
(-)-Stansin 2
Formula C55H94O24
Mw 1138.61350393
CAS RN 768399-37-7
C_ID C00043925 ,
InChIKey MFYNDTMWJKQZQQ-LYRIFDPSNA-N
InChICode InChI=1S/C55H94O24/c1-10-11-17-20-33-21-18-15-13-12-14-16-19-22-37(58)74-46-34(24-35-39(60)41(62)45(32(9)70-35)76-51(67)28(5)30(7)57)31(8)71-55(49(46)75-38(59)23-26(2)3)78-47-42(63)40(61)36(25-69-50(66)27(4)29(6)56)73-54(47)77-48-43(64)44(65)52(68)79-53(48)72-33/h26-36,39-49,52-57,60-65,68H,10-25H2,1-9H3/t27-,28+,29+,30+,31+,32-,33+,34+,35+,36-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,52+,53-,54+,55+/m1/s1
SMILES [C@@H]1(O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)C[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)OC(=O)[C@H]([C@H](C)O)C)C)OC(=O)CCCCCCCCC[C@@H](O[C@H]1[C@H](O2)[C@H]([C@@H]([C@H](O1)O)O)O)CCCCC)OC(=O)CC(C)C)COC(=O)[C@@H]([C@H](C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea stans Ref.
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