input word = C00023230

Metabolite InformationStructural formula
Name (6'R)-alpha-Echinenone
Formula C40H54O
Mw 550.41746634
CAS RN 3297-23-2
C_ID C00023230 ,
InChIKey ZRXISZZQHKYPQA-XTASNMHZNA-N
InChICode InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-26,36H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m0/s1
SMILES C1CC(=O)C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(CCC=C1C)(C)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
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OrganismCorbicula japonica
ReferenceMaoka,J. Agric. Food Chem.,53,(2005),8357