input word = C00020459

Metabolite InformationStructural formula
Name Epoxyspicatin
Formula C27H32O11
Mw 532.19446187
CAS RN 53177-31-4
C_ID C00020459 ,
InChIKey WBOPBWDHSKAJTA-QSPLRUFENA-N
InChICode InChI=1S/C27H32O11/c1-6-14(9-28)24(31)37-21-19-18(26(5)22(21)38-26)20-17(12(3)23(30)36-20)16(8-27(19)11-34-27)35-25(32)15(7-2)10-33-13(4)29/h6-7,16-22,28H,3,8-11H2,1-2,4-5H3/b14-6+,15-7-/t16-,17+,18-,19+,20-,21-,22-,26+,27+/m1/s1
SMILES C=C1C(=O)OC2C1C(OC(=O)/C(=CC)COC(C)=O)CC1(CO1)C1C(OC(=O)/C(=C/C)CO)C3OC3(C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris pycnostachya Ref.
zoom in