| Properties | Image |
|---|
| MNX_ID | MNXM19276 |
 |
| reference | metacycM:CPD-9719 |
| formula | C61H88O2 |
| global charge | 0 |
| mol weight | 853.373 |
| InChIKey | OCQQATZYCNAKQB-UQUNHUMXSA-N |
| InChI | InChI=1S/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3/b47-26+,48-28+,49-30+,50-32+,51-34+,52-36+,53-38+,54-40+,55-44+ |
| 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/CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3/b47-26+,48-28+,49-30+,50-32+,51-34+,52-36+,53-38+,54-40+,55-44+ |
 |
| SMILES (mnx) | [CH3:1][C:46]([CH3:2])=[CH:24][CH2:15][CH2:25]/[C:47]([CH3:3])=[CH:26]/[CH2:16][CH2:27]/[C:48]([CH3:4])=[CH:28]/[CH2:17][CH2:29]/[C:49]([CH3:5])=[CH:30]/[CH2:18][CH2:31]/[C:50]([CH3:6])=[CH:32]/[CH2:19][CH2:33]/[C:51]([CH3:7])=[CH:34]/[CH2:20][CH2:35]/[C:52]([CH3:8])=[CH:36]/[CH2:21][CH2:37]/[C:53]([CH3:9])=[CH:38]/[CH2:22][CH2:39]/[C:54]([CH3:10])=[CH:40]/[CH2:23][CH2:41]/[C:55]([CH3:11])=[CH:44]/[CH2:45][C:57]1=[C:56]([CH3:12])[C:60](=[O:62])[C:58]2=[CH:42][CH:13]=[CH:14][CH:43]=[C:59]2[C:61]1=[O:63] |
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