input word = C00039213

Metabolite InformationStructural formula
Name Fibraurinoside
Formula C26H30O12
Mw 534.17372642
CAS RN 102907-32-4
C_ID C00039213 ,
InChIKey PPILOQQTEQXAMT-UHFFFAOYNA-N
InChICode InChI=1S/C26H30O12/c1-24-7-12(10-4-6-33-9-10)34-21(31)11(24)3-5-25(2)19(24)17-18-20(36-18)26(25,23(32)37-17)38-22-16(30)15(29)14(28)13(8-27)35-22/h3-4,6,9,12-20,22,27-30H,5,7-8H2,1-2H3/t12-,13-,14-,15+,16-,17+,18+,19+,20+,22+,24-,25-,26-/m1/s1
SMILES C1[C@@]2(C(=CC[C@@]3([C@H]2[C@@H]2[C@H]4[C@@H]([C@]3(C(=O)O2)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O4)C)C(=O)O[C@H]1c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeFibraurea tinctoria Ref.
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