input word = C00022932

Metabolite InformationStructural formula
Name (3S,3'S,5R,5'R,6S,6'R)-6,7-Didehydro-5,5',6,6'-tetrahydro-3,3',5,5',6'-pentahydroxy-beta,beta-carotene
Formula C40H58O5
Mw 618.42842496
CAS RN 131722-54-8
C_ID C00022932 ,
InChIKey MMYRDQLKHIDOMP-ALKGEJJMNA-N
InChICode InChI=1S/C40H58O5/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(45)37(7,8)26-34(42)28-39(40,10)44/h11-21,23-24,33-34,41-45H,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/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeTrollius europaeus Ref.
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