input word = C00023066

Metabolite InformationStructural formula
Name Amarouciaxanthin A
(3S,5R,6R,6'S)-6,7-Didehydro-5,6,7',8'-tetrahydro-3,5,6'-trihydroxy-3',8'-dioxo-beta,epsilon-carotene
Formula C40H54O5
Mw 614.39712483
CAS RN 100667-78-5
C_ID C00023066 ,
InChIKey NBAOGGCOLYTLDU-RPNWXHRSNA-N
InChICode InChI=1S/C40H54O5/c1-28(17-13-18-30(3)21-22-36-37(6,7)24-34(42)26-39(36,10)44)15-11-12-16-29(2)19-14-20-31(4)35(43)27-40(45)32(5)23-33(41)25-38(40,8)9/h11-21,23,34,42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,34-,39+,40+/m0/s1
SMILES CC1=CC(=O)CC(C)(C)[C@@]1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAmaroucium pliciferum Ref.
PlantaeEricaceaePaphia euglypta Ref.
zoom in