input word = C00023162

Metabolite InformationStructural formula
Name Pyrrhoxanthin
Formula C39H48O6
Mw 612.34508926
CAS RN 54369-13-0
C_ID C00023162 ,
InChIKey YDSRGWPRPWTZCK-OVDBHTNQNA-N
InChICode InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-15,18-20,22,31,33,41H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-/t31-,33+,38+,39-/m0/s1
SMILES CC(=O)O[C@@H]1CC(C)=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCardiidaeTridacna crocea Ref.
PlantaeCorbiculidaeCorbicula japonica Ref.
--Pseudopterogorgia bipinnata Ref.
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