input word = C00012875

Metabolite InformationStructural formula
Name [3aR-(3aalpha,4aalpha,5alpha,8alpha,8abeta,9aalpha)]-Decahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
Formula C15H22O4
Mw 266.15180919
CAS RN 5945-43-7
C_ID C00012875 ,
InChIKey PHYFACKULSRHQU-RHYYKDRFNA-N
InChICode InChI=1S/C15H22O4/c1-8-9-6-11-14(2,7-10(9)19-13(8)17)12(16)4-5-15(11,3)18/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-/m1/s1
SMILES [C@]1([C@H]2[C@]([C@H](CC1)O)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva axillaris Ref.
PlantaeAsteraceaeIva microcephala Ref.
zoom in