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@H]12[C@H]([C@H]3[C@@H]([C@H](C[C@]1(C)O)OC(=O)/C(=C\C)/C)[C@](C(=O)O3)(C)OC(=O)C)C(=CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium siler Ref.
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