input word = C00038260

Metabolite InformationStructural formula
Name 3-O-(E)-Coumaroyl erythrodiol
Formula C39H56O4
Mw 588.41786028
CAS RN 113476-64-5
C_ID C00038260 ,
InChIKey JIHRTYNJAACOFO-GBTWDFFGNA-N
InChICode InChI=1S/C39H56O4/c1-34(2)20-22-39(25-40)23-21-37(6)28(29(39)24-34)13-14-31-36(5)18-17-32(35(3,4)30(36)16-19-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-13,15,29-32,40-41H,14,16-25H2,1-7H3/b15-10+/t29-,30-,31+,32-,36-,37+,38+,39+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)CO)C)C)C)(C)C)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCasuarinaceaeCasuarina equisetifolia Ref.
zoom in