input word = C00013195

Metabolite InformationStructural formula
Name 4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Formula C23H34O11
Mw 486.21011193
CAS RN 73971-66-1
C_ID C00013195 ,
InChIKey VPXNYABMLVFZMO-OQJQSXTMNA-N
InChICode InChI=1S/C23H34O11/c1-11(16(26)9-15-13(3)22(30)33-17(15)8-12(2)24)6-5-7-31-23-21(29)20(28)19(27)18(34-23)10-32-14(4)25/h11,15,17-21,23,27-29H,3,5-10H2,1-2,4H3/t11-,15-,17-,18+,19-,20+,21-,23-/m1/s1
SMILES O(CCC[C@@H](C)C(=O)C[C@@H]1C(=C)C(=O)O[C@@H]1CC(=O)C)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePicradeniopsis woodhousei Ref.
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