| 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 |
| Animalia | Ostreidae | Crassostrea gigas  | Ref. |
|
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