input word = C00054691

Metabolite InformationStructural formula
Name Cryptoxanthin epoxide
Formula C40H56O2
Mw 568.42803103
CAS RN 188116-19-0
C_ID C00054691
InChIKey CMOLUFWHADIFGS-VESOQFFVSA-N
InChICode InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+/t35-,39+,40-/m0/s1
SMILES CC(/C=C/[C@]12C(C)(C)C[C@H](O)C[C@@]1(C)O2)=CC=CC(C)=CC=CC=C(C)C=CC=C(C=CC3=C(C)CCCC3(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeRosaceaePrunus persica Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeSolanaceaeCapsicum annuum var. lycopersiforme Ref.
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