| Properties | Image |
|---|
| MNX_ID | MNXM19279 |
 |
| reference | metacycM:CPD-9721 |
| formula | C76H112O2 |
| global charge | 0 |
| mol weight | 1057.73 |
| InChIKey | PZCKKEDSUIYKTM-HWRCDASFSA-N |
| InChI | InChI=1S/C76H112O2/c1-58(2)30-18-31-59(3)32-19-33-60(4)34-20-35-61(5)36-21-37-62(6)38-22-39-63(7)40-23-41-64(8)42-24-43-65(9)44-25-45-66(10)46-26-47-67(11)48-27-49-68(12)50-28-51-69(13)52-29-53-70(14)56-57-72-71(15)75(77)73-54-16-17-55-74(73)76(72)78/h16-17,30,32,34,36,38,40,42,44,46,48,50,52,54-56H,18-29,31,33,35,37,39,41,43,45,47,49,51,53,57H2,1-15H3/b59-32+,60-34+,61-36+,62-38+,63-40+,64-42+,65-44+,66-46+,67-48+,68-50+,69-52+,70-56+ |
| 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/CC/C(C)=C/CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C76H112O2/c1-58(2)30-18-31-59(3)32-19-33-60(4)34-20-35-61(5)36-21-37-62(6)38-22-39-63(7)40-23-41-64(8)42-24-43-65(9)44-25-45-66(10)46-26-47-67(11)48-27-49-68(12)50-28-51-69(13)52-29-53-70(14)56-57-72-71(15)75(77)73-54-16-17-55-74(73)76(72)78/h16-17,30,32,34,36,38,40,42,44,46,48,50,52,54-56H,18-29,31,33,35,37,39,41,43,45,47,49,51,53,57H2,1-15H3/b59-32+,60-34+,61-36+,62-38+,63-40+,64-42+,65-44+,66-46+,67-48+,68-50+,69-52+,70-56+ |
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| SMILES (mnx) | [CH3:1][C:58]([CH3:2])=[CH:30][CH2:18][CH2:31]/[C:59]([CH3:3])=[CH:32]/[CH2:19][CH2:33]/[C:60]([CH3:4])=[CH:34]/[CH2:20][CH2:35]/[C:61]([CH3:5])=[CH:36]/[CH2:21][CH2:37]/[C:62]([CH3:6])=[CH:38]/[CH2:22][CH2:39]/[C:63]([CH3:7])=[CH:40]/[CH2:23][CH2:41]/[C:64]([CH3:8])=[CH:42]/[CH2:24][CH2:43]/[C:65]([CH3:9])=[CH:44]/[CH2:25][CH2:45]/[C:66]([CH3:10])=[CH:46]/[CH2:26][CH2:47]/[C:67]([CH3:11])=[CH:48]/[CH2:27][CH2:49]/[C:68]([CH3:12])=[CH:50]/[CH2:28][CH2:51]/[C:69]([CH3:13])=[CH:52]/[CH2:29][CH2:53]/[C:70]([CH3:14])=[CH:56]/[CH2:57][C:72]1=[C:71]([CH3:15])[C:75](=[O:77])[C:73]2=[CH:54][CH:16]=[CH:17][CH:55]=[C:74]2[C:76]1=[O:78] |
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