| Name |
Braunixanthin 1 |
| Formula |
C111H178O8 |
| Mw |
1639.35217266 |
| CAS RN |
196207-41-7 |
| C_ID |
C00022978
, 
|
| InChIKey |
WINZVTPVKSPVDQ-LTLMVTGYNA-N |
| InChICode |
InChI=1S/C111H178O8/c1-26-27-28-29-44-47-62-100(117-103-81-109(20,21)99(95(17)106(103)112)71-65-87(9)59-52-57-85(7)55-50-49-54-84(6)56-51-58-86(8)64-70-98-94(16)60-53-76-108(98,18)19)101(63-48-45-42-40-38-36-34-32-30-31-33-35-37-39-41-43-46-61-96-79-97(115-24)80-102(116-25)107(96)113)119-111(23,78-75-93(15)91(13)69-67-89(11)83(4)5)105-73-72-104(118-105)110(22,114)77-74-92(14)90(12)68-66-88(10)82(2)3/h49-52,54-59,64-65,70-71,79-80,88-89,92-93,100-101,103-105,113-114H,2,4,12-13,26-48,53,60-63,66-69,72-78,81H2,1,3,5-11,14-25H3/b50-49+,56-51+,57-52+,70-64+,71-65+,84-54+,85-55+,86-58+,87-59+/t88-,89+,92-,93-,100-,101+,103+,104+,105+,110-,111-/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](CCCCCCCCCCCCCCCCCCCc1c(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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