input word = C00041059

Metabolite InformationStructural formula
Name Methyl euscaphate
Formula C31H50O5
Mw 502.36582471
CAS RN 52936-89-7
C_ID C00041059 ,
InChIKey RQWXHGLRDYGNGZ-WMXFRNHNNA-N
InChICode InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1
SMILES COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCecropiaceaeMyrianthus serratus Ref.
PlantaeRosaceaeRosa laevigata Ref.
zoom in