input word = C00023100

Metabolite InformationStructural formula
Name Haloxanthin
Formula C50H74O4
Mw 738.55871085
CAS RN 166197-35-9
C_ID C00023100 ,
InChIKey LTZKXZZQHUUMDI-MSJDDVKSNA-N
InChICode InChI=1S/C50H74O4/c1-38(2)31-34-45(49(11,12)51)35-32-43(7)29-19-27-41(5)25-17-23-39(3)21-15-16-22-40(4)24-18-26-42(6)28-20-30-44(8)33-36-46(50(13,14)52)47-37-48(9,10)54-53-47/h15-31,33,36,45-47,51-52H,32,34-35,37H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,36-33+,39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46+,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)[C@@H]1CC(C)(C)OO1)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicrococcaceaeKocuria rosea Ref.
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