input word = C00011593

Metabolite InformationStructural formula
Name (4,4'-Dihydroxy-2,2'-dimethyl-3,3',6,6'-tetraoxo[1,1'-bi-1,4-cyclohexadien-1-yl]-5,5'-diyl)bis(2,6-dimethyl-2-hexene-6,1-diyl) ester 2-methyl-butanoic acid
Formula C40H54O10
Mw 694.37169795
CAS RN 119285-24-4
C_ID C00011593 ,
InChIKey PWPSLFKUWYJRKA-UHFFFAOYNA-N
InChICode InChI=1S/C40H54O10/c1-11-23(5)39(47)49-19-21(3)15-13-17-25(7)29-35(43)31(27(9)33(41)37(29)45)32-28(10)34(42)38(46)30(36(32)44)26(8)18-14-16-22(4)20-50-40(48)24(6)12-2/h15-16,23-26,45-46H,11-14,17-20H2,1-10H3/b21-15-,22-16-/t23-,24+,25-,26-/m0/s1
SMILES C1(=O)C(=C(C(=O)C(=C1O)[C@@H](C)CC/C=C(/C)\COC(=O)[C@H](C)CC)C1=C(C(=O)C(=C(C1=O)[C@@H](C)CC/C=C(/C)\COC(=O)[C@@H](C)CC)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCoreocarpus arizonicus Ref.
zoom in