input word = C00022213

Metabolite InformationStructural formula
Name Corymbivillosol acetate
Formula C45H70O7
Mw 722.51215459
CAS RN 113476-74-7
C_ID C00022213 ,
InChIKey SUSJWMBKQDLIRU-FTIAGVEQNA-N
InChICode InChI=1S/C45H70O7/c1-29(22-26-46)12-16-34-31(3)15-19-37-43(8,9)39(21-25-45(34,37)11)52-41(49)28-40(48)50-27-23-30(2)13-17-35-32(4)14-18-36-42(6,7)38(51-33(5)47)20-24-44(35,36)10/h14-15,22-23,34-39,46H,12-13,16-21,24-28H2,1-11H3/b29-22+,30-23+/t34-,35-,36-,37-,38+,39+,44-,45-/m1/s1
SMILES C1=C([C@H]([C@@]2([C@H](C1)C([C@H](CC2)OC(=O)CC(=O)OC/C=C(/CC[C@H]1[C@@]2([C@H](CC=C1C)C([C@H](CC2)OC(=O)C)(C)C)C)\C)(C)C)C)CC/C(=C/CO)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCorymbium villosum Ref.
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