| Properties | Image |
|---|
| MNX_ID | MNXM1371930 |
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| reference | biggM:garagund |
| formula | C77H125NO22P2 |
| global charge | -2 |
| mol weight | 1478.78 |
| InChIKey | QZKSQRMITRSRFM-UHFFFAOYSA-L |
| InChI | InChI=1S/C77H127NO22P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-92-101(88,89)100-102(90,91)99-75-66(78-62(14)81)72(69(85)65(49-80)95-75)97-77-74(94-63(15)82)73(67(83)61(13)93-77)98-76-71(87)70(86)68(84)64(48-79)96-76/h26,28,30,32,34,36,38,40,42,44,46,61,64-77,79-80,83-87H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,78,81)(H,88,89)(H,90,91)/p-2 |
| SMILES | CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC(CO)C(O)C1OC1OC(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C77H127NO22P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-92-101(88,89)100-102(90,91)99-75-66(78-62(14)81)72(69(85)65(49-80)95-75)97-77-74(94-63(15)82)73(67(83)61(13)93-77)98-76-71(87)70(86)68(84)64(48-79)96-76/h26,28,30,32,34,36,38,40,42,44,46,61,64-77,79-80,83-87H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,78,81)(H,88,89)(H,90,91)/b51-28?,52-30?,53-32?,54-34?,55-36?,56-38?,57-40?,58-42?,59-44?,60-46?/t61?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77? |
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| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:26][CH2:16][CH2:27][C:51]([CH3:3])=[CH:28][CH2:17][CH2:29][C:52]([CH3:4])=[CH:30][CH2:18][CH2:31][C:53]([CH3:5])=[CH:32][CH2:19][CH2:33][C:54]([CH3:6])=[CH:34][CH2:20][CH2:35][C:55]([CH3:7])=[CH:36][CH2:21][CH2:37][C:56]([CH3:8])=[CH:38][CH2:22][CH2:39][C:57]([CH3:9])=[CH:40][CH2:23][CH2:41][C:58]([CH3:10])=[CH:42][CH2:24][CH2:43][C:59]([CH3:11])=[CH:44][CH2:25][CH2:45][C:60]([CH3:12])=[CH:46][CH2:47][O:92][P:101]([OH:88])(=[O:89])[O:100][P:102]([OH:90])(=[O:91])[O:99][CH:75]1[CH:66]([N:78]=[C:62]([CH3:14])[OH:81])[CH:72]([O:97][CH:77]2[CH:74]([O:94][C:63]([CH3:15])=[O:82])[CH:73]([O:98][CH:76]3[CH:71]([OH:87])[CH:70]([OH:86])[CH:68]([OH:84])[CH:64]([CH2:48][OH:79])[O:96]3)[CH:67]([OH:83])[CH:61]([CH3:13])[O:93]2)[CH:69]([OH:85])[CH:65]([CH2:49][OH:80])[O:95]1 |
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