input word = C00041873

Metabolite InformationStructural formula
Name Solanigroside H
(-)-Solanigroside H
Formula C51H82O22
Mw 1046.52977431
CAS RN 905914-32-1
C_ID C00041873 ,
InChIKey DYHUTWXSTAKMRJ-INGMRHIRNA-N
InChICode InChI=1S/C51H82O22/c1-20-9-14-50(64-19-20)23(4)51(63)31(73-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,51)6)67-47-43(72-44-38(60)35(57)32(54)21(2)65-44)40(62)41(30(18-53)69-47)70-46-42(37(59)33(55)22(3)66-46)71-45-39(61)36(58)34(56)29(17-52)68-45/h7,20-23,25-47,52-63H,8-19H2,1-6H3/t20-,21+,22+,23-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@]1([C@H](C3)O[C@]3([C@H]1C)OC[C@@H](CC3)C)O)C)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum nigrum Ref.
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