input word = C00057420

Metabolite InformationStructural formula
Name 1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psicarotene
Phytofluene epoxide III
Formula C40H62O
Mw 558.4800666
CAS RN 51598-36-8
C_ID C00057420
InChIKey VUFFJPKEUVSKQW-NOASVPEQSA-N
InChICode InChI=1S/C40H62O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,18-20,22,24-26,29,39H,13,15-17,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+
SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)CC/C=C(C)CC/C=C(C)CCC1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismLycopersicon esculentum
ReferenceZechmeister, L. et al., Arch. Biochem. Biophys., 1953, 47, 160 (occur)