input word = C00022945

Metabolite InformationStructural formula
Name Latoxanthin
(3S,3'S,5R,5'R,6R,6'S)-5,6-Epoxy-5,5',6,6'-tetrahydro-3,3',5',6'-tetrahydroxy-beta,beta-carotene
Formula C40H58O5
Mw 618.42842496
CAS RN 95034-11-0
C_ID C00022945 ,
InChIKey IHFACKVTKFGBBA-YFUVOBOANA-N
InChICode InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)45-40/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39+,40-/m0/s1
SMILES C1[C@@H](C[C@@]([C@](C1(C)C)(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@]12C(C[C@@H](C[C@@]1(C)O2)O)(C)C)\C)\C)/C)/C)O)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa foetida Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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