input word = C00023096

Metabolite InformationStructural formula
Name all-trans-Bisanhydrobacterioruberin
(2R,2'R)-1,1',2,2'-Tetrahydro-1,1'-dihydroxy-2,2'-bis(3-methyl-2-butenyl)-psi,psi-carotene
Formula C50H76O2
Mw 708.58453167
CAS RN 30763-32-7
C_ID C00023096 ,
InChIKey YDHWOAQKEXVUAU-FXCUMQOENA-N
InChICode InChI=1S/C50H76O2/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/h15-32,47-48,51-52H,33-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,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(\CC[C@@H](C(C)(O)C)CC=C(C)C)/C)/C)/C)\C)\C)/C=C(/CC[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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