input word = C00003308

Metabolite InformationStructural formula
Name Isomontanolide
Formula C22H30O7
Mw 406.19915331
CAS RN 38114-47-5
C_ID C00003308 ,
InChIKey LCVDISRHEKGNOL-RXCJMAOSNA-N
InChICode InChI=1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium siler Ref.
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