input word = C00023095

Metabolite InformationStructural formula
Name Bisanhydrobacterioruberin
(2S,2'S)-3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-2,2'-bis(3-methyl-2-butenyl)-psi,psi-carotene
Formula C50H72O2
Mw 704.55323154
CAS RN 30403-59-9
C_ID C00023095 ,
InChIKey YSNDIOZFQNZVGY-WMMGAXIKNA-N
InChICode InChI=1S/C50H72O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-34,37-38,47-48,51-52H,35-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/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)CC=C(C)C)/C)/C)/C)\C)\C)/C=C(/C=C/[C@@H](C(C)(O)C)CC=C(C)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaCorynebacteriaceaeCorynebacterium poinsettiae Ref.
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OrganismCorynebacterium poinsettiae
ReferenceLakomy,Helv. Chim. Acta,80,(1997),472