input word = C00022878

Metabolite InformationStructural formula
Name Phleixanthophyll
(2'S)-3',4'-Didehydro-1'-(beta-D-glucopyranosyloxy)-1',2'-dihydro-beta,psi-caroten-2'-ol
Formula C46H66O7
Mw 730.48085446
CAS RN 33762-98-0
C_ID C00022878 ,
InChIKey RSHFXVVRRRVVNQ-ZWELHKNGNA-N
InChICode InChI=1S/C46H66O7/c1-32(17-11-12-18-33(2)20-14-23-35(4)26-28-38-37(6)25-16-30-45(38,7)8)19-13-21-34(3)22-15-24-36(5)27-29-40(48)46(9,10)53-44-43(51)42(50)41(49)39(31-47)52-44/h11-15,17-24,26-29,39-44,47-51H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-,40+,41-,42+,43-,44+/m1/s1
SMILES C1CCC(=C(C1(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)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMycobacteriaceaeMycobacterium phlei str. Vera Ref.
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