| Properties | Image |
|---|
| MNX_ID | MNXM19277 |
 |
| reference | metacycM:CPD-9723 |
| formula | C66H96O2 |
| global charge | 0 |
| mol weight | 921.492 |
| InChIKey | YYDMANIEKFAEJC-RYZSZPJESA-N |
| InChI | InChI=1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+ |
| 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=C(C)C(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+ |
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| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:51]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:52]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:53]([CH3:5])=[CH:32]/[CH2:19][CH2:33]/[C:54]([CH3:6])=[CH:34]/[CH2:20][CH2:35]/[C:55]([CH3:7])=[CH:36]/[CH2:21][CH2:37]/[C:56]([CH3:8])=[CH:38]/[CH2:22][CH2:39]/[C:57]([CH3:9])=[CH:40]/[CH2:23][CH2:41]/[C:58]([CH3:10])=[CH:42]/[CH2:24][CH2:43]/[C:59]([CH3:11])=[CH:44]/[CH2:25][CH2:45]/[C:60]([CH3:12])=[CH:48]/[CH2:49][C:62]1=[C:61]([CH3:13])[C:65](=[O:67])[C:63]2=[CH:46][CH:14]=[CH:15][CH:47]=[C:64]2[C:66]1=[O:68] |
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