| Properties | Image |
|---|
| MNX_ID | MNXM1094084 |
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| reference | chebi:84424 |
| formula | C54H84O4 |
| global charge | 0 |
| mol weight | 797.262 |
| InChIKey | NPCOQXAVBJJZBQ-WJNLUYJISA-N |
| InChI | InChI=1S/C54H84O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38,55-56H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+ |
| SMILES | COC1=C(O)C(C)=C(C/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)CCC=C(C)C)C(O)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C54H84O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38,55-56H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+ |
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| SMILES (mnx) | [CH3:1][C:40]([CH3:2])=[CH:22][CH2:14][CH2:23]/[C:41]([CH3:3])=[CH:24]/[CH2:15][CH2:25]/[C:42]([CH3:4])=[CH:26]/[CH2:16][CH2:27]/[C:43]([CH3:5])=[CH:28]/[CH2:17][CH2:29]/[C:44]([CH3:6])=[CH:30]/[CH2:18][CH2:31]/[C:45]([CH3:7])=[CH:32]/[CH2:19][CH2:33]/[C:46]([CH3:8])=[CH:34]/[CH2:20][CH2:35]/[C:47]([CH3:9])=[CH:36]/[CH2:21][CH2:37]/[C:48]([CH3:10])=[CH:38]/[CH2:39][C:50]1=[C:49]([CH3:11])[C:51]([OH:55])=[C:53]([O:57][CH3:12])[C:54]([O:58][CH3:13])=[C:52]1[OH:56] |
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