input word = C00023081

Metabolite InformationStructural formula
Name C.p. 450
(2R,2'R)-2,2'-Bis[(2E)-4-hydroxy-3-methyl-2-butenyl]-beta,beta-carotene
Formula C50H72O2
Mw 704.55323154
CAS RN 54783-71-0
C_ID C00023081 ,
InChIKey SVZOVYPHOOQVFZ-OCYXTISZNA-N
InChICode InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-46,51-52H,27-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-/m0/s1
SMILES C1(=C(CC[C@@H](C1(C)C)C/C=C(/CO)\C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CC[C@@H](C1(C)C)C/C=C(/CO)\C)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicrobacteriaceaeCurtobacterium flaccumfaciens pv. poinsettiae Ref.
zoom in