| Properties | Image |
|---|
| MNX_ID | MNXM83045 |
 |
| reference | chebi:26828 |
| formula | C148H286O20S |
| global charge | 0 |
| mol weight | 2417.963 |
| InChIKey | VVUBWEWWCKPWSI-XCRVQMKQSA-N |
| InChI | InChI=1S/C148H286O20S/c1-29-33-37-41-45-49-53-57-61-62-66-70-74-78-82-109(5)86-110(6)87-111(7)88-112(8)89-115(11)94-120(16)100-126(22)105-131(27)145(156)162-108-136-139(153)141(166-146(157)132(28)106-127(23)101-122(18)96-117(13)91-114(10)93-119(15)98-124(20)103-129(25)134(150)84-80-76-72-68-64-59-55-51-47-43-39-35-31-3)143(165-137(151)85-81-77-73-69-65-60-56-52-48-44-40-36-32-4)148(164-136)167-147-142(168-169(158,159)160)140(154)138(152)135(163-147)107-161-144(155)130(26)104-125(21)99-121(17)95-116(12)90-113(9)92-118(14)97-123(19)102-128(24)133(149)83-79-75-71-67-63-58-54-50-46-42-38-34-30-2/h109-136,138-143,147-150,152-154H,29-108H2,1-28H3,(H,158,159,160)/t109-,110-,111-,112-,113+,114+,115-,116-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-,127-,128+,129+,130-,131-,132-,133+,134+,135+,136+,138+,139+,140-,141-,142+,143+,147+,148+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C148H286O20S/c1-29-33-37-41-45-49-53-57-61-62-66-70-74-78-82-109(5)86-110(6)87-111(7)88-112(8)89-115(11)94-120(16)100-126(22)105-131(27)145(156)162-108-136-139(153)141(166-146(157)132(28)106-127(23)101-122(18)96-117(13)91-114(10)93-119(15)98-124(20)103-129(25)134(150)84-80-76-72-68-64-59-55-51-47-43-39-35-31-3)143(165-137(151)85-81-77-73-69-65-60-56-52-48-44-40-36-32-4)148(164-136)167-147-142(168-169(158,159)160)140(154)138(152)135(163-147)107-161-144(155)130(26)104-125(21)99-121(17)95-116(12)90-113(9)92-118(14)97-123(19)102-128(24)133(149)83-79-75-71-67-63-58-54-50-46-42-38-34-30-2/h109-136,138-143,147-150,152-154H,29-108H2,1-28H3,(H,158,159,160)/t109-,110-,111-,112-,113+,114+,115-,116-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-,127-,128+,129+,130-,131-,132-,133+,134+,135+,136+,138+,139+,140-,141-,142+,143+,147+,148+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:62][CH2:66][CH2:70][CH2:74][CH2:78][CH2:82][C@H:109]([CH3:5])[CH2:86][C@H:110]([CH3:6])[CH2:87][C@H:111]([CH3:7])[CH2:88][C@H:112]([CH3:8])[CH2:89][C@H:115]([CH3:11])[CH2:94][C@H:120]([CH3:16])[CH2:100][C@H:126]([CH3:22])[CH2:105][C@H:131]([CH3:27])[C:145](=[O:156])[O:162][CH2:108][C@@H:136]1[C@@H:139]([OH:153])[C@H:141]([O:166][C:146]([C@@H:132]([CH3:28])[CH2:106][C@@H:127]([CH3:23])[CH2:101][C@@H:122]([CH3:18])[CH2:96][C@@H:117]([CH3:13])[CH2:91][C@@H:114]([CH3:10])[CH2:93][C@@H:119]([CH3:15])[CH2:98][C@@H:124]([CH3:20])[CH2:103][C@@H:129]([CH3:25])[C@@H:134]([CH2:84][CH2:80][CH2:76][CH2:72][CH2:68][CH2:64][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH3:3])[OH:150])=[O:157])[C@@H:143]([O:165][C:137]([CH2:85][CH2:81][CH2:77][CH2:73][CH2:69][CH2:65][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH3:4])=[O:151])[C@@H:148]([O:167][C@@H:147]2[C@H:142]([O:168][S:169]([OH:158])(=[O:159])=[O:160])[C@@H:140]([OH:154])[C@H:138]([OH:152])[C@@H:135]([CH2:107][O:161][C:144]([C@@H:130]([CH3:26])[CH2:104][C@@H:125]([CH3:21])[CH2:99][C@@H:121]([CH3:17])[CH2:95][C@@H:116]([CH3:12])[CH2:90][C@@H:113]([CH3:9])[CH2:92][C@@H:118]([CH3:14])[CH2:97][C@@H:123]([CH3:19])[CH2:102][C@@H:128]([CH3:24])[C@@H:133]([CH2:83][CH2:79][CH2:75][CH2:71][CH2:67][CH2:63][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH3:2])[OH:149])=[O:155])[O:163]2)[O:164]1 |
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