input word = C00039639

Metabolite InformationStructural formula
Name Longikaurin C
Formula C22H30O6
Mw 390.20423869
CAS RN 77284-05-0
C_ID C00039639 ,
InChIKey HSMCZGYOVWATPU-AYCYEAOZNA-N
InChICode InChI=1S/C22H30O6/c1-12-14-5-6-15-20-8-4-7-19(3,10-27-13(2)23)16(20)18(25)22(26,28-11-20)21(15,9-14)17(12)24/h14-16,18,25-26H,1,4-11H2,2-3H3/t14-,15+,16-,18+,19+,20-,21+,22-/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
zoom in