input word = C00022853

Metabolite InformationStructural formula
Name 3,4-Didehydro-1-(beta-D-glucopyranosyloxy)-1,2-dihydro-psi,psi-carotene
Formula C46H66O6
Mw 714.48593984
CAS RN 162441-88-5
C_ID C00022853 ,
InChIKey QSAWSYZDZFHUNP-FGSAIAABNA-N
InChICode InChI=1S/C46H66O6/c1-34(2)19-13-22-37(5)25-16-28-38(6)26-14-23-35(3)20-11-12-21-36(4)24-15-27-39(7)29-17-30-40(8)31-18-32-46(9,10)52-45-44(50)43(49)42(48)41(33-47)51-45/h11-12,14-21,23-31,41-45,47-50H,13,22,32-33H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,35-20+,36-21+,37-25+,38-26+,39-27+,40-30+/t41-,42-,43+,44-,45+/m1/s1
SMILES C(=C(\C=C\CC(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMyxoccaceaeMyxococcus sp. MY-18 Ref.
BacteriaPolyangiaceaeChondromyces apiculatus Ref.
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