input word = C00033132

Metabolite InformationStructural formula
Name Lupeol beta-phenyl propionate
Lupeol dihydrocinnamate
Formula C39H58O2
Mw 558.44368109
CAS RN 93915-44-7
C_ID C00033132 ,
InChIKey BXSJJYBMAUOEPV-JUTOUZJANA-N
InChICode InChI=1S/C39H58O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-13,28-32,34H,1,14-25H2,2-8H3/t28-,29+,30-,31+,32-,34-,36+,37-,38+,39+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CC[C@H]1C(=C)C)C)C)C)C)(C)C)OC(=O)CCc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHimatanthus sucuuba Ref.
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