input word = C00045496

Metabolite InformationStructural formula
Name (4S,5S,6S,4'S,5'S,6'S)-5,6,5',6'-Tetrahydro-beta,beta-carotene-4,4'-diol
Formula C40H60O2
Mw 572.45933116
CAS RN 364062-36-2
C_ID C00045496 ,
InChIKey JNTVTBGQHNNOKM-LNHNWNCMNA-N
InChICode InChI=1S/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36+,37-,38-/m0/s1
SMILES [C@@H]1(CCC([C@@H]([C@@H]1C)/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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaFasciolariidaeFusinus perplexus Ref.
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