input word = C00023047

Metabolite InformationStructural formula
Name Botryoxanthin B
Formula C74H110O3
Mw 1046.84549738
CAS RN 207594-88-5
C_ID C00023047 ,
InChIKey RKCBSTGPKMXWBJ-LHTNFALLNA-N
InChICode InChI=1S/C74H110O3/c1-52(2)59(10)40-42-62(13)61(12)39-36-56(7)34-27-35-70-73(22,49-46-64(15)63(14)43-41-60(11)53(3)4)77-74(76-70)51-50-72(20,21)68(66(74)17)45-38-58(9)33-26-31-55(6)29-24-23-28-54(5)30-25-32-57(8)37-44-67-65(16)69(75)47-48-71(67,18)19/h23-26,28-34,37-38,44-45,59-61,64,70H,1,3,13-14,27,35-36,39-43,46-51H2,2,4-12,15-22H3/b24-23+,30-25+,31-26+,44-37+,45-38+,54-28+,55-29+,56-34+,57-32+,58-33+/t59-,60+,61-,64+,70-,73-,74-/m1/s1
SMILES C1(=C([C@]2(CCC1(C)C)O[C@@H]([C@](O2)(CC[C@@H](C(=C)CC[C@@H](C(=C)C)C)C)C)CC/C=C(/CC[C@H](C(=C)CC[C@H](C(=C)C)C)C)\C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C(=O)CCC1(C)C)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDictyosphaeriaceaeBotryococcus braunii Kawaguchi-1 strain Ref.
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