input word = C00033017

Metabolite InformationStructural formula
Name Hemeroside B
(-)-Hemeroside B
Formula C50H82O23
Mw 1050.52468893
CAS RN 337516-10-6
C_ID C00033017 ,
InChIKey UHDCCGNMEBZKTO-WAMIKNHJNA-N
InChICode InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)13-25-23-6-5-21-11-22(12-31(55)49(21,4)24(23)8-9-48(25,32)3)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-44-38(61)33(56)26(54)18-64-44)42(35(58)29(15-52)68-47)71-46-39(62)36(59)34(57)28(14-51)67-46/h19-47,51-63H,5-18H2,1-4H3/t19-,20-,21+,22+,23+,24-,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+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]2([C@H]1C)CC[C@@H](CO2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHemerocallidaceaeHemerocallis fulva var.kwanso Ref.
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