input word = C00031723

Metabolite InformationStructural formula
Name Darutoside
Formula C26H44O8
Mw 484.30361838
CAS RN 59219-65-7
C_ID C00031723 ,
InChIKey QWWPCQGHWWNGET-UHFFFAOYNA-N
InChICode InChI=1S/C26H44O8/c1-24(2)17-6-5-14-11-25(3,18(29)13-28)9-7-15(14)26(17,4)10-8-19(24)34-23-22(32)21(31)20(30)16(12-27)33-23/h11,15-23,27-32H,5-10,12-13H2,1-4H3/t15-,16-,17-,18+,19+,20-,21+,22-,23+,25-,26-/m0/s1
SMILES C1[C@@](C=C2[C@H](C1)[C@]1([C@@H](CC2)C([C@@H](CC1)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)(C)C)C)([C@H](O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWollastonia biflora Ref.
--Siegesbeckia orientalis L. Ref.
--Siegesbeckia pubescens Ref.
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