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 C1[C@@H]([C@@H](C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C=C1C(C[C@@H](C[C@@]1(C)O)OC(=O)C)(C)C)\C)\C)/C)/C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
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