input word = C00023236

Metabolite InformationStructural formula
Name Corbiculaxanthin 3'-acetate
Formula C42H58O5
Mw 642.42842496
CAS RN 865866-06-4
C_ID C00023236 ,
InChIKey SCJRNAKKXUSBHB-GTBZEZDPNA-N
InChICode InChI=1S/C42H58O5/c1-29(18-14-20-31(3)22-24-36-33(5)39(45)37(44)28-40(36,7)8)16-12-13-17-30(2)19-15-21-32(4)23-25-38-41(9,10)26-35(47-34(6)43)27-42(38,11)46/h12-24,35,37,39,44-46H,26-28H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,29-16+,30-17+,31-20+,32-21+/t25-,35+,37+,39-,42-/m1/s1
SMILES CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)[C@](C)(O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
zoom in