input word = C00022913

Metabolite InformationStructural formula
Name (3S,4R,5S,6S,4'S,5'S,6'S)-5,6,5',6'-Tetrahydro-beta,beta-carotene-3,4,4'-triol
Formula C40H60O3
Mw 588.45424578
CAS RN 98502-73-9
C_ID C00022913 ,
InChIKey UKZNVYFIFVPGRZ-MJUGWJIHNA-N
InChICode InChI=1S/C40H60O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,32-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t32-,33-,34-,35-,36-,37-,38+/m0/s1
SMILES C1[C@@H]([C@@H]([C@H]([C@@H](C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(CC[C@@H]([C@H]1C)O)(C)C)\C)\C)/C)/C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaFasciolariidaeFusinus perplexus Ref.
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