| Properties | Image |
|---|
| MNX_ID | MNXM744614 |
 |
| reference | biggM:am4n9cs |
| formula | C61H109N11O13 |
| global charge | 0 |
| mol weight | 1204.607 |
| InChIKey | HLIMGJVXSQIHIP-WJTDDFOZSA-N |
| InChI | InChI=1S/C61H109N11O13/c1-23-25-26-39(14)51(75)50-55(79)65-42(24-2)57(81)67(17)31-47(74)64-43(27-33(3)4)53(77)66-48(36(9)10)60(84)68(18)44(28-34(5)6)54(78)62-40(15)52(76)63-41(16)56(80)69(19)46(30-38(13)32-73)58(82)70(20)45(29-35(7)8)59(83)71(21)49(37(11)12)61(85)72(50)22/h23,25,33-46,48-51,73,75H,24,26-32H2,1-22H3,(H,62,78)(H,63,76)(H,64,74)(H,65,79)(H,66,77)/b25-23+ |
| SMILES | C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)CO)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C |
MNX internals
| InChI (mnx) | InChI=1/C61H109N11O13/c1-23-25-26-39(14)51(75)50-55(79)65-42(24-2)57(81)67(17)31-47(74)64-43(27-33(3)4)53(77)66-48(36(9)10)60(84)68(18)44(28-34(5)6)54(78)62-40(15)52(76)63-41(16)56(80)69(19)46(30-38(13)32-73)58(82)70(20)45(29-35(7)8)59(83)71(21)49(37(11)12)61(85)72(50)22/h23,25,33-46,48-51,73,75H,24,26-32H2,1-22H3,(H,62,78)(H,63,76)(H,64,74)(H,65,79)(H,66,77)/b25-23+/t38?,39?,40?,41?,42?,43?,44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1]/[CH:23]=[CH:25]/[CH2:26][CH:39]([CH3:14])[CH:51]([CH:50]1[C:55]([OH:79])=[N:65][CH:42]([CH2:24][CH3:2])[C:57](=[O:81])[N:67]([CH3:17])[CH2:31][C:47]([OH:74])=[N:64][CH:43]([CH2:27][CH:33]([CH3:3])[CH3:4])[C:53]([OH:77])=[N:66][CH:48]([CH:36]([CH3:9])[CH3:10])[C:60](=[O:84])[N:68]([CH3:18])[CH:44]([CH2:28][CH:34]([CH3:5])[CH3:6])[C:54]([OH:78])=[N:62][CH:40]([CH3:15])[C:52]([OH:76])=[N:63][CH:41]([CH3:16])[C:56](=[O:80])[N:69]([CH3:19])[CH:46]([CH2:30][CH:38]([CH3:13])[CH2:32][OH:73])[C:58](=[O:82])[N:70]([CH3:20])[CH:45]([CH2:29][CH:35]([CH3:7])[CH3:8])[C:59](=[O:83])[N:71]([CH3:21])[CH:49]([CH:37]([CH3:11])[CH3:12])[C:61](=[O:85])[N:72]1[CH3:22])[OH:75] |
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