| Properties | Image |
|---|
| MNX_ID | MNXM17199 |
 |
| reference | metacycM:CPD-9968 |
| formula | C60H86O2 |
| global charge | 0 |
| mol weight | 839.346 |
| InChIKey | SPQBMHDFIQQHCM-ALCXCGRTSA-N |
| InChI | InChI=1S/C60H86O2/c1-46(2)23-14-24-47(3)25-15-26-48(4)27-16-28-49(5)29-17-30-50(6)31-18-32-51(7)33-19-34-52(8)35-20-36-53(9)37-21-38-54(10)39-22-40-55(11)43-44-56-45-59(61)57-41-12-13-42-58(57)60(56)62/h12-13,23,25,27,29,31,33,35,37,39,41-43,45H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-43+ |
| 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=CC(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C60H86O2/c1-46(2)23-14-24-47(3)25-15-26-48(4)27-16-28-49(5)29-17-30-50(6)31-18-32-51(7)33-19-34-52(8)35-20-36-53(9)37-21-38-54(10)39-22-40-55(11)43-44-56-45-59(61)57-41-12-13-42-58(57)60(56)62/h12-13,23,25,27,29,31,33,35,37,39,41-43,45H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-43+ |
 |
| SMILES (mnx) | [CH3:1][C:46]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:47]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:48]([CH3:4])=[CH:27]/[CH2:16][CH2:28]/[C:49]([CH3:5])=[CH:29]/[CH2:17][CH2:30]/[C:50]([CH3:6])=[CH:31]/[CH2:18][CH2:32]/[C:51]([CH3:7])=[CH:33]/[CH2:19][CH2:34]/[C:52]([CH3:8])=[CH:35]/[CH2:20][CH2:36]/[C:53]([CH3:9])=[CH:37]/[CH2:21][CH2:38]/[C:54]([CH3:10])=[CH:39]/[CH2:22][CH2:40]/[C:55]([CH3:11])=[CH:43]/[CH2:44][C:56]1=[CH:45][C:59](=[O:61])[C:57]2=[CH:41][CH:12]=[CH:13][CH:42]=[C:58]2[C:60]1=[O:62] |
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