input word = C00003780

Metabolite InformationStructural formula
Name Neoxanthin
Folioxanthin
Formula C40H56O4
Mw 600.41786028
CAS RN 14660-91-4
C_ID C00003780 ,
InChIKey PGYAYSRVSAJXTE-ALKGEJJMNA-N
InChICode InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1
SMILES [C@]12(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C=C=C3C(C[C@@H](C[C@@]3(C)O)O)(C)C)\C)/C)/C)C(C[C@@H](C[C@@]1(C)O2)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeAsteraceaeTagetes erecta L. Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica rapa ssp. chinensis Ref.
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
PlantaeFabaceaeCytisus scoparius Ref.
PlantaeOleaceaeForsythia spp. Ref.
PlantaePassifloraceaePassiflora edulis Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePotamogetonaceaePotamogeton perfoliatus Ref.
PlantaeRanunculaceaeCaltha palustris Ref.
PlantaeRosaceaeGeum spp. Ref.
PlantaeRosaceaeMalus spp. Ref.
PlantaeRosaceaePrunus domestica Ref.
PlantaeRosaceaePrunus persica Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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