| Properties | Image |
|---|
| MNX_ID | MNXM19278 |
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| reference | metacycM:CPD-9722 |
| formula | C71H104O2 |
| global charge | 0 |
| mol weight | 989.611 |
| InChIKey | JRQRCGAQNZQEJS-WPPIEQSHSA-N |
| InChI | InChI=1S/C71H104O2/c1-54(2)28-17-29-55(3)30-18-31-56(4)32-19-33-57(5)34-20-35-58(6)36-21-37-59(7)38-22-39-60(8)40-23-41-61(9)42-24-43-62(10)44-25-45-63(11)46-26-47-64(12)48-27-49-65(13)52-53-67-66(14)70(72)68-50-15-16-51-69(68)71(67)73/h15-16,28,30,32,34,36,38,40,42,44,46,48,50-52H,17-27,29,31,33,35,37,39,41,43,45,47,49,53H2,1-14H3/b55-30+,56-32+,57-34+,58-36+,59-38+,60-40+,61-42+,62-44+,63-46+,64-48+,65-52+ |
| 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/CC/C(C)=C/CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C71H104O2/c1-54(2)28-17-29-55(3)30-18-31-56(4)32-19-33-57(5)34-20-35-58(6)36-21-37-59(7)38-22-39-60(8)40-23-41-61(9)42-24-43-62(10)44-25-45-63(11)46-26-47-64(12)48-27-49-65(13)52-53-67-66(14)70(72)68-50-15-16-51-69(68)71(67)73/h15-16,28,30,32,34,36,38,40,42,44,46,48,50-52H,17-27,29,31,33,35,37,39,41,43,45,47,49,53H2,1-14H3/b55-30+,56-32+,57-34+,58-36+,59-38+,60-40+,61-42+,62-44+,63-46+,64-48+,65-52+ |
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| SMILES (mnx) | [CH3:1][C:54]([CH3:2])=[CH:28][CH2:17][CH2:29]/[C:55]([CH3:3])=[CH:30]/[CH2:18][CH2:31]/[C:56]([CH3:4])=[CH:32]/[CH2:19][CH2:33]/[C:57]([CH3:5])=[CH:34]/[CH2:20][CH2:35]/[C:58]([CH3:6])=[CH:36]/[CH2:21][CH2:37]/[C:59]([CH3:7])=[CH:38]/[CH2:22][CH2:39]/[C:60]([CH3:8])=[CH:40]/[CH2:23][CH2:41]/[C:61]([CH3:9])=[CH:42]/[CH2:24][CH2:43]/[C:62]([CH3:10])=[CH:44]/[CH2:25][CH2:45]/[C:63]([CH3:11])=[CH:46]/[CH2:26][CH2:47]/[C:64]([CH3:12])=[CH:48]/[CH2:27][CH2:49]/[C:65]([CH3:13])=[CH:52]/[CH2:53][C:67]1=[C:66]([CH3:14])[C:70](=[O:72])[C:68]2=[CH:50][CH:15]=[CH:16][CH:51]=[C:69]2[C:71]1=[O:73] |
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