| Properties | Image |
|---|
| MNX_ID | MNXM22160 |
 |
| reference | metacycM:CPD1G-854 |
| formula | C184H354O17 |
| global charge | 0 |
| mol weight | 2838.839 |
| InChIKey | JMEGKOQDFJPDPC-LZOCTMARSA-N |
| InChI | InChI=1S/C184H354O17/c1-7-11-15-19-23-27-31-35-39-43-45-47-49-51-57-65-79-91-103-115-127-139-151-167(171(187)155-143-131-119-107-95-83-67-59-53-55-63-75-87-99-111-123-135-147-163-157-165(163)149-137-125-113-101-89-77-69-71-81-93-105-117-129-141-153-169(185)161(5)145-133-121-109-97-85-73-61-41-37-33-29-25-21-17-13-9-3)181(195)197-159-173-175(189)177(191)179(193)183(199-173)201-184-180(194)178(192)176(190)174(200-184)160-198-182(196)168(152-140-128-116-104-92-80-66-58-52-50-48-46-44-40-36-32-28-24-20-16-12-8-2)172(188)156-144-132-120-108-96-84-68-60-54-56-64-76-88-100-112-124-136-148-164-158-166(164)150-138-126-114-102-90-78-70-72-82-94-106-118-130-142-154-170(186)162(6)146-134-122-110-98-86-74-62-42-38-34-30-26-22-18-14-10-4/h161-168,171-180,183-184,187-194H,7-160H2,1-6H3/t161?,162?,163?,164?,165?,166?,167?,168?,171-,172-,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C184H354O17/c1-7-11-15-19-23-27-31-35-39-43-45-47-49-51-57-65-79-91-103-115-127-139-151-167(171(187)155-143-131-119-107-95-83-67-59-53-55-63-75-87-99-111-123-135-147-163-157-165(163)149-137-125-113-101-89-77-69-71-81-93-105-117-129-141-153-169(185)161(5)145-133-121-109-97-85-73-61-41-37-33-29-25-21-17-13-9-3)181(195)197-159-173-175(189)177(191)179(193)183(199-173)201-184-180(194)178(192)176(190)174(200-184)160-198-182(196)168(152-140-128-116-104-92-80-66-58-52-50-48-46-44-40-36-32-28-24-20-16-12-8-2)172(188)156-144-132-120-108-96-84-68-60-54-56-64-76-88-100-112-124-136-148-164-158-166(164)150-138-126-114-102-90-78-70-72-82-94-106-118-130-142-154-170(186)162(6)146-134-122-110-98-86-74-62-42-38-34-30-26-22-18-14-10-4/h161-168,171-180,183-184,187-194H,7-160H2,1-6H3/t161?,162?,163?,164?,165?,166?,167?,168?,171-,172-,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:11][CH2:15][CH2:19][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:57][CH2:65][CH2:79][CH2:91][CH2:103][CH2:115][CH2:127][CH2:139][CH2:151][CH:167]([C@@H:171]([CH2:155][CH2:143][CH2:131][CH2:119][CH2:107][CH2:95][CH2:83][CH2:67][CH2:59][CH2:53][CH2:55][CH2:63][CH2:75][CH2:87][CH2:99][CH2:111][CH2:123][CH2:135][CH2:147][CH:163]1[CH2:157][CH:165]1[CH2:149][CH2:137][CH2:125][CH2:113][CH2:101][CH2:89][CH2:77][CH2:69][CH2:71][CH2:81][CH2:93][CH2:105][CH2:117][CH2:129][CH2:141][CH2:153][C:169]([CH:161]([CH3:5])[CH2:145][CH2:133][CH2:121][CH2:109][CH2:97][CH2:85][CH2:73][CH2:61][CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:21][CH2:17][CH2:13][CH2:9][CH3:3])=[O:185])[OH:187])[C:181](=[O:195])[O:197][CH2:159][C@@H:173]1[C@@H:175]([OH:189])[C@H:177]([OH:191])[C@@H:179]([OH:193])[C@@H:183]([O:201][C@@H:184]2[C@H:180]([OH:194])[C@@H:178]([OH:192])[C@H:176]([OH:190])[C@@H:174]([CH2:160][O:198][C:182]([CH:168]([CH2:152][CH2:140][CH2:128][CH2:116][CH2:104][CH2:92][CH2:80][CH2:66][CH2:58][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:2])[C@@H:172]([CH2:156][CH2:144][CH2:132][CH2:120][CH2:108][CH2:96][CH2:84][CH2:68][CH2:60][CH2:54][CH2:56][CH2:64][CH2:76][CH2:88][CH2:100][CH2:112][CH2:124][CH2:136][CH2:148][CH:164]3[CH2:158][CH:166]3[CH2:150][CH2:138][CH2:126][CH2:114][CH2:102][CH2:90][CH2:78][CH2:70][CH2:72][CH2:82][CH2:94][CH2:106][CH2:118][CH2:130][CH2:142][CH2:154][C:170]([CH:162]([CH3:6])[CH2:146][CH2:134][CH2:122][CH2:110][CH2:98][CH2:86][CH2:74][CH2:62][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH3:4])=[O:186])[OH:188])=[O:196])[O:200]2)[O:199]1 |
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