input word = C00023247

Metabolite InformationStructural formula
Name Cyclopyrrhoxanthin
Formula C39H48O6
Mw 612.34508926
CAS RN 866025-62-9
C_ID C00023247 ,
InChIKey GRBTZPLUNSWVPO-VAOFAKQDNA-N
InChICode InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-32(43-29(4)40)23-36(34,5)6)14-12-10-11-13-15-27(2)20-31-22-30(35(41)44-31)18-19-39-37(7,8)24-33(45-39)25-38(39,9)42/h10-15,18-20,22,32-33,42H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t32-,33?,38-,39-/m1/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/C34O[C@@H](CC3(C)C)C[C@@]4(C)O)C(=O)O2)C(C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
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