| Name |
Braunixanthin 2 |
| Formula |
C113H182O8 |
| Mw |
1667.38347278 |
| CAS RN |
196207-43-9 |
| C_ID |
C00022979
, 
|
| InChIKey |
LOIRTQKOZAXPBZ-GMQIWEQNNA-N |
| InChICode |
InChI=1S/C113H182O8/c1-26-27-28-29-46-49-64-102(119-105-83-111(20,21)101(97(17)108(105)114)73-67-89(9)61-54-59-87(7)57-52-51-56-86(6)58-53-60-88(8)66-72-100-96(16)62-55-78-110(100,18)19)103(65-50-47-44-42-40-38-36-34-32-30-31-33-35-37-39-41-43-45-48-63-98-81-99(117-24)82-104(118-25)109(98)115)121-113(23,80-77-95(15)93(13)71-69-91(11)85(4)5)107-75-74-106(120-107)112(22,116)79-76-94(14)92(12)70-68-90(10)84(2)3/h51-54,56-61,66-67,72-73,81-82,90-91,94-95,102-103,105-107,115-116H,2,4,12-13,26-50,55,62-65,68-71,74-80,83H2,1,3,5-11,14-25H3/b52-51+,58-53+,59-54+,72-66+,73-67+,86-56+,87-57+,88-60+,89-61+/t90-,91+,94-,95+,102-,103-,105-,106+,107+,112+,113-/m1/s1 |
| SMILES |
C1[C@H](C(=O)C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)/C)/C)/C)/C)C)O[C@H](CCCCCCCC)[C@@H](CCCCCCCCCCCCCCCCCCCCCc1c(c(cc(c1)OC)OC)O)O[C@@]([C@H]1O[C@@H](CC1)[C@](CC[C@H](C(=C)CC[C@H](C(=C)C)C)C)(O)C)(CC[C@@H](C(=C)CC[C@@H](C(=C)C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dictyosphaeriaceae | Botryococcus braunii Kawaguchi-1 strain | Ref. |
|
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