input word = C00023098

Metabolite InformationStructural formula
Name 3',4'-Dihydromonoanhydrobacterioruberin
(2S,2'R)-1,1',2,2'-Tetrahydro-1,1'-dihydroxy-2-(3-hydroxy-3-methylbutyl)-2'-(3-methyl-2-butenyl)-psi,psi-carotene
Formula C50H76O3
Mw 724.57944629
CAS RN 165675-35-4
C_ID C00023098 ,
InChIKey VWIPPKPLSGQGGH-GENRDWTANA-N
InChICode InChI=1S/C50H76O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-31,33,36,46-47,51-53H,32,34-35,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+/t46-,47+/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(/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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