input word = C00057293

Metabolite InformationStructural formula
Name Crassostrea Secocarotenoid
Formula C40H56O5
Mw 616.4127749
CAS RN 256505-51-8
C_ID C00057293
InChIKey YCHOPPKXFCUQHM-YTVYXYHESA-N
InChICode InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-35(45-40)26-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)36(42)27-38(9)32(5)23-34(44-38)24-33(6)41/h11-22,32,34-35,43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,34-,35+,38+,39-,40-/m1/s1
SMILES O[C@@](C[C@@H]1CC2(C)C)(C)[C@@]2(O1)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(C[C@]3(C)O[C@@H](CC(C)=O)C[C@H]3C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaOstreidaeCrassostrea gigas Ref.
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