| Properties | Image |
|---|
| MNX_ID | MNXM1368766 |
 |
| reference | seedM:cpd14688 |
| formula | C82H132O14 |
| global charge | 0 |
| mol weight | 1341.944 |
| InChIKey | VVKAQZYKDOWNFD-FMZQEZSSSA-N |
| InChI | InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79?,80?/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](OC3O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](OC2O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]2O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79?,80?/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:57]([CH3:2])[CH2:37][CH2:29][CH2:25][CH2:21][CH2:17][CH2:15][CH2:19][CH2:23][CH2:27][CH2:31][CH2:45][C:71](=[O:83])[O:91][CH2:55][C@@H:69]1[C@@H:73]([OH:85])[C@H:75]([OH:87])[C@@H:77]([OH:89])[CH:79]([O:93][C@@H:65]2[CH2:51][C:63]([CH3:9])=[C:67](/[CH:49]=[CH:47]/[C:61]([CH3:7])=[CH:43]/[CH:35]=[CH:41]/[C:59]([CH3:5])=[CH:39]/[CH:33]=[CH:34]/[CH:40]=[C:60]([CH3:6])/[CH:42]=[CH:36]/[CH:44]=[C:62]([CH3:8])/[CH:48]=[CH:50]/[C:68]3=[C:64]([CH3:10])[CH2:52][C@@H:66]([O:94][CH:80]4[C@H:78]([OH:90])[C@@H:76]([OH:88])[C@H:74]([OH:86])[C@@H:70]([CH2:56][O:92][C:72]([CH2:46][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:18][CH2:22][CH2:26][CH2:30][CH2:38][CH:58]([CH3:3])[CH3:4])=[O:84])[O:96]4)[CH2:54][C:82]3([CH3:13])[CH3:14])[C:81]([CH3:11])([CH3:12])[CH2:53]2)[O:95]1 |
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