input word = C00022896

Metabolite InformationStructural formula
Name 2,6-Cyclolycopene-1,5-diol
1,2,5,6-Tetrahydro-2,6-cyclo-psi,psi-carotene-1,5-diol
Formula C40H58O2
Mw 570.44368109
CAS RN 223744-29-4
C_ID C00022896 ,
InChIKey VDFVQEJGOSCZNZ-HNNISBQLNA-N
InChICode InChI=1S/C40H58O2/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t37-,38+,40+/m1/s1
SMILES C1C[C@]([C@H]([C@@H]1C(C)(C)O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens Ref.
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OrganismHomo sapiens
ReferenceKhachik,Anal. Chem.,69,(1997),1873