input word = C00031556

Metabolite InformationStructural formula
Name 3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one
(3S,4R,3'S,5'R)-3,4,3',8'-Tetrahydroxy-beta,kappa-caroten-6'-one
Formula C40H56O5
Mw 616.4127749
CAS RN 870095-33-3
C_ID C00031556 ,
InChIKey NPMBGQREVDOWDW-UEQNQCJONA-N
InChICode InChI=1S/C40H56O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-23,32,35,37,41-43,45H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35-,37+,40-/m0/s1
SMILES [C@@H]1([C@H](CC(C(=C1C)/C=C/C(=C/C=C\C(=C\C=C\C=C(\C=C\C=C(\C(=C\C(=O)[C@]1(C(C[C@@H](C1)O)(C)C)C)\O)/C)/C)\C)/C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaOstreidaeCrassostrea gigas Ref.
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