input word = C00023060

Metabolite InformationStructural formula
Name Astaxanthin glucoside
(3S,3'S)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-carotene-4,4'-dione
Formula C46H62O9
Mw 758.43938358
CAS RN 174024-81-8
C_ID C00023060 ,
InChIKey RPOTZDWYDMWJPW-HFKBLGTINA-N
InChICode InChI=1S/C46H62O9/c1-28(17-13-19-30(3)21-23-34-32(5)39(49)36(48)25-45(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)40(50)37(26-46(35,9)10)54-44-43(53)42(52)41(51)38(27-47)55-44/h11-24,36-38,41-44,47-48,51-53H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t36-,37-,38+,41+,42-,43+,44+/m0/s1
SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaRhizobiaceaeAgrobacterium aurantiacum Ref.
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OrganismAgrobacterium aurantiacum
ReferenceYokoyama,J. Nat. Prod.,12,(1995),1929