input word = C00023011

Metabolite InformationStructural formula
Name 3',4'-Didehydro-1'-(beta-D-glucopyranosyloxy)-1',2'-dihydro-2'-hydroxy-beta,psi-caroten-4-one
Formula C46H64O8
Mw 744.46011902
CAS RN
C_ID C00023011 ,
InChIKey WIIAAEMYMGPGLU-AGYJVYIJNA-N
InChICode InChI=1S/C46H64O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-37-36(6)38(48)28-29-45(37,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(49)46(9,10)54-44-43(52)42(51)41(50)39(30-47)53-44/h11-27,39-44,47,49-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t39-,40+,41-,42+,43-,44+/m1/s1
SMILES C1(=C(C(=O)CCC1(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@@H](C(C)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)\C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMycobacteriaceaeMycobacterium phlei str. Vera Ref.
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