| Properties | Image |
|---|
| MNX_ID | MNXM17200 |
 |
| reference | metacycM:CPD-9969 |
| formula | C65H94O2 |
| global charge | 0 |
| mol weight | 907.465 |
| InChIKey | ADMOTUBJWLTYAX-SOKMHQJSSA-N |
| InChI | InChI=1S/C65H94O2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)47-48-61-49-64(66)62-45-13-14-46-63(62)65(61)67/h13-14,25,27,29,31,33,35,37,39,41,43,45-47,49H,15-24,26,28,30,32,34,36,38,40,42,44,48H2,1-12H3/b51-27+,52-29+,53-31+,54-33+,55-35+,56-37+,57-39+,58-41+,59-43+,60-47+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C65H94O2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)47-48-61-49-64(66)62-45-13-14-46-63(62)65(61)67/h13-14,25,27,29,31,33,35,37,39,41,43,45-47,49H,15-24,26,28,30,32,34,36,38,40,42,44,48H2,1-12H3/b51-27+,52-29+,53-31+,54-33+,55-35+,56-37+,57-39+,58-41+,59-43+,60-47+ |
 |
| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:51]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:52]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:53]([CH3:5])=[CH:31]/[CH2:18][CH2:32]/[C:54]([CH3:6])=[CH:33]/[CH2:19][CH2:34]/[C:55]([CH3:7])=[CH:35]/[CH2:20][CH2:36]/[C:56]([CH3:8])=[CH:37]/[CH2:21][CH2:38]/[C:57]([CH3:9])=[CH:39]/[CH2:22][CH2:40]/[C:58]([CH3:10])=[CH:41]/[CH2:23][CH2:42]/[C:59]([CH3:11])=[CH:43]/[CH2:24][CH2:44]/[C:60]([CH3:12])=[CH:47]/[CH2:48][C:61]1=[CH:49][C:64](=[O:66])[C:62]2=[CH:45][CH:13]=[CH:14][CH:46]=[C:63]2[C:65]1=[O:67] |
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