| Properties | Image |
|---|
| MNX_ID | MNXM1132310 |
 |
| reference | metacycM:CPD-23229 |
| formula | C99H162O43P2 |
| global charge | -2 |
| mol weight | 2102.29 |
| InChIKey | SLLLPSNZBAAIJR-QOEMTKNNSA-L |
| InChI | InChI=1S/C99H164O43P2/c1-14-53(2)25-15-26-54(3)27-16-28-55(4)29-17-30-56(5)31-18-32-57(6)33-19-34-58(7)35-20-36-59(8)37-21-38-60(9)39-22-40-61(10)41-23-42-62(11)43-24-44-63(12)49-129-143(122,123)142-144(124,125)141-99-88(121)92(76(109)67(47-102)132-99)140-97-85(118)80(113)89(68(48-103)133-97)137-98-86(119)81(114)90(71(136-98)52-126-64(13)104)138-96-84(117)79(112)74(107)70(135-96)51-127-93-82(115)78(111)73(106)69(134-93)50-128-94-87(120)91(75(108)66(46-101)130-94)139-95-83(116)77(110)72(105)65(45-100)131-95/h14,26,28,30,32,34,36,38,40,42,44,65-103,105-121H,15-25,27,29,31,33,35,37,39,41,43,45-52H2,1-13H3,(H,122,123)(H,124,125)/p-2/b53-14-,54-26-,55-28-,56-30-,57-32-,58-34-,59-36-,60-38-,61-40+,62-42+,63-44+/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92+,93-,94-,95+,96+,97+,98+,99-/m1/s1 |
| SMILES | 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)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C99H164O43P2/c1-14-53(2)25-15-26-54(3)27-16-28-55(4)29-17-30-56(5)31-18-32-57(6)33-19-34-58(7)35-20-36-59(8)37-21-38-60(9)39-22-40-61(10)41-23-42-62(11)43-24-44-63(12)49-129-143(122,123)142-144(124,125)141-99-88(121)92(76(109)67(47-102)132-99)140-97-85(118)80(113)89(68(48-103)133-97)137-98-86(119)81(114)90(71(136-98)52-126-64(13)104)138-96-84(117)79(112)74(107)70(135-96)51-127-93-82(115)78(111)73(106)69(134-93)50-128-94-87(120)91(75(108)66(46-101)130-94)139-95-83(116)77(110)72(105)65(45-100)131-95/h14,26,28,30,32,34,36,38,40,42,44,65-103,105-121H,15-25,27,29,31,33,35,37,39,41,43,45-52H2,1-13H3,(H,122,123)(H,124,125)/b53-14-,54-26-,55-28-,56-30-,57-32-,58-34-,59-36-,60-38-,61-40+,62-42+,63-44+/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92+,93-,94-,95+,96+,97+,98+,99-/m1/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:14]=[C:53](/[CH3:2])[CH2:25][CH2:15]/[CH:26]=[C:54](/[CH3:3])[CH2:27][CH2:16]/[CH:28]=[C:55](/[CH3:4])[CH2:29][CH2:17]/[CH:30]=[C:56](/[CH3:5])[CH2:31][CH2:18]/[CH:32]=[C:57](/[CH3:6])[CH2:33][CH2:19]/[CH:34]=[C:58](/[CH3:7])[CH2:35][CH2:20]/[CH:36]=[C:59](/[CH3:8])[CH2:37][CH2:21]/[CH:38]=[C:60](/[CH3:9])[CH2:39][CH2:22]/[CH:40]=[C:61](\[CH3:10])[CH2:41][CH2:23]/[CH:42]=[C:62](\[CH3:11])[CH2:43][CH2:24]/[CH:44]=[C:63](\[CH3:12])[CH2:49][O:129][P:143]([OH:122])(=[O:123])[O:142][P:144]([OH:124])(=[O:125])[O:141][C@@H:99]1[C@H:88]([OH:121])[C@@H:92]([O:140][C@H:97]2[C@H:85]([OH:118])[C@@H:80]([OH:113])[C@H:89]([O:137][C@H:98]3[C@H:86]([OH:119])[C@@H:81]([OH:114])[C@H:90]([O:138][C@H:96]4[C@H:84]([OH:117])[C@@H:79]([OH:112])[C@H:74]([OH:107])[C@@H:70]([CH2:51][O:127][C@H:93]5[C@H:82]([OH:115])[C@@H:78]([OH:111])[C@H:73]([OH:106])[C@@H:69]([CH2:50][O:128][C@H:94]6[C@H:87]([OH:120])[C@@H:91]([O:139][C@H:95]7[C@H:83]([OH:116])[C@@H:77]([OH:110])[C@H:72]([OH:105])[C@@H:65]([CH2:45][OH:100])[O:131]7)[C@H:75]([OH:108])[C@@H:66]([CH2:46][OH:101])[O:130]6)[O:134]5)[O:135]4)[C@@H:71]([CH2:52][O:126][C:64]([CH3:13])=[O:104])[O:136]3)[C@@H:68]([CH2:48][OH:103])[O:133]2)[C@@H:76]([OH:109])[C@@H:67]([CH2:47][OH:102])[O:132]1 |
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