input word = C00013196

Metabolite InformationStructural formula
Name [3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Formula C23H34O9
Mw 454.22028269
CAS RN 73971-69-4
C_ID C00013196 ,
InChIKey AFVFSWMCPXHALI-MHEUZCRKNA-N
InChICode InChI=1S/C23H34O9/c1-11(15-9-16-13(3)22(28)31-17(16)8-12(15)2)6-5-7-29-23-21(27)20(26)19(25)18(32-23)10-30-14(4)24/h11,16-21,23,25-27H,3,5-10H2,1-2,4H3/t11-,16-,17+,18-,19+,20-,21+,23+/m0/s1
SMILES C(CC[C@H](C)C1=C(C[C@@H]2[C@@H](C1)C(=C)C(=O)O2)C)O[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.
zoom in



OrganismPicradeniopsis woodhousei
ReferenceHerz,J.Org.Chem.,32,(1967),3658

Herz,J.Org.Chem.,45,(1980),3163