input word = C00045072

Metabolite InformationStructural formula
Name Solasteroside A
Formula C56H92O26S
Mw 1212.55975384
CAS RN 143016-88-0
C_ID C00045072 ,
InChIKey ALKLZDCICOVLRU-UHFFFAOYNA-N
InChICode InChI=1S/C56H92O26S/c1-22(2)11-10-16-56(9,68)34-13-12-29-28-20-32(31-19-27(82-83(69,70)71)14-17-54(31,7)30(28)15-18-55(29,34)8)77-51-45(67)46(38(60)26(6)75-51)79-52-47(80-49-43(65)40(62)35(57)23(3)73-49)39(61)33(21-72-52)78-53-48(42(64)37(59)25(5)76-53)81-50-44(66)41(63)36(58)24(4)74-50/h11,15,23-29,31-53,57-68H,10,12-14,16-21H2,1-9H3,(H,69,70,71)/t23-,24+,25+,26-,27+,28-,29-,31-,32-,33+,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51+,52-,53-,54+,55+,56+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)C)O[C@H]1CO[C@@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@H]2C(=CC[C@]3([C@@H]2CC[C@@H]3[C@@](C)(O)CCC=C(C)C)C)[C@]2([C@@H]1C[C@H](CC2)OS(=O)(=O)O)C)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaLuidiidaeLuidia quinaria Ref.
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