| Properties | Image |
|---|
| MNX_ID | MNXM17204 |
 |
| reference | metacycM:CPD-9733 |
| formula | C55H78O2 |
| global charge | 0 |
| mol weight | 771.227 |
| InChIKey | MZHQKWYODJVUBB-RNFPTGGASA-N |
| InChI | InChI=1S/C55H78O2/c1-42(2)21-13-22-43(3)23-14-24-44(4)25-15-26-45(5)27-16-28-46(6)29-17-30-47(7)31-18-32-48(8)33-19-34-49(9)35-20-36-50(10)39-40-51-41-54(56)52-37-11-12-38-53(52)55(51)57/h11-12,21,23,25,27,29,31,33,35,37-39,41H,13-20,22,24,26,28,30,32,34,36,40H2,1-10H3/b43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-39+ |
| 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/CC1=CC(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C55H78O2/c1-42(2)21-13-22-43(3)23-14-24-44(4)25-15-26-45(5)27-16-28-46(6)29-17-30-47(7)31-18-32-48(8)33-19-34-49(9)35-20-36-50(10)39-40-51-41-54(56)52-37-11-12-38-53(52)55(51)57/h11-12,21,23,25,27,29,31,33,35,37-39,41H,13-20,22,24,26,28,30,32,34,36,40H2,1-10H3/b43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-39+ |
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| SMILES (mnx) | [CH3:1][C:42]([CH3:2])=[CH:21][CH2:13][CH2:22]/[C:43]([CH3:3])=[CH:23]/[CH2:14][CH2:24]/[C:44]([CH3:4])=[CH:25]/[CH2:15][CH2:26]/[C:45]([CH3:5])=[CH:27]/[CH2:16][CH2:28]/[C:46]([CH3:6])=[CH:29]/[CH2:17][CH2:30]/[C:47]([CH3:7])=[CH:31]/[CH2:18][CH2:32]/[C:48]([CH3:8])=[CH:33]/[CH2:19][CH2:34]/[C:49]([CH3:9])=[CH:35]/[CH2:20][CH2:36]/[C:50]([CH3:10])=[CH:39]/[CH2:40][C:51]1=[CH:41][C:54](=[O:56])[C:52]2=[CH:37][CH:11]=[CH:12][CH:38]=[C:53]2[C:55]1=[O:57] |
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