input word = C00022989

Metabolite InformationStructural formula
Name 3,3',4,4'-Tetradehydro-1'-(beta-D-glucopyranosyloxy)-1',2'-dihydro-beta,psi-caroten-2-one
Formula C46H62O7
Mw 726.44955433
CAS RN 233685-14-8
C_ID C00022989 ,
InChIKey WCJRTUFWFLRDJF-VJWAGEMCNA-N
InChICode InChI=1S/C46H62O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-28-38-37(6)27-29-40(48)46(38,9)10)19-13-21-34(3)22-14-23-35(4)25-16-30-45(7,8)53-44-43(51)42(50)41(49)39(31-47)52-44/h11-29,39,41-44,47,49-51H,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-,41-,42+,43-,44+/m1/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/C=C(C)/C=C/CC(C)(C)O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(C)(C)C(=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Meiothermus ruber Ref.
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