input word = C00003775

Metabolite InformationStructural formula
Name Lactucaxanthin
Formula C40H56O2
Mw 568.42803103
CAS RN 78306-12-4
C_ID C00003775 ,
InChIKey BIPAHAFBQLWRMC-WXECVRDKNA-N
InChICode InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1
SMILES [C@@H]1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C=C/[C@@H]2C(C[C@H](C=C2C)O)(C)C)\C)/C)/C)C(C[C@H](C=C1C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa Ref.
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OrganismLactuca sativa
ReferenceMatsuno,Bull. Jap. Soc. Sci. Fish.,50,(1984),1735