input word = C00023099

Metabolite InformationStructural formula
Name Bacterioruberin
(2S,2'S)-3,3',4,4'-Tetradehydro-2,2'-bis(3-hydroxy-3-methylbutyl)-psi,psi-carotene-1,1'-diol
Formula C50H76O4
Mw 740.57436091
CAS RN 32719-43-0
C_ID C00023099 ,
InChIKey UVCQMCCIAHQDAF-WEBHZCNGNA-N
InChICode InChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,33-31+,34-32+,39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46-/m1/s1
SMILES 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)CCC(C)(C)O)/C)/C)/C)\C)\C)/C=C(/C=C/[C@@H](C(C)(O)C)CCC(C)(C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ArchaeaHalobacteriaceaeHaloferax volcanii Ref.
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