| Properties | Image |
|---|
| MNX_ID | MNXM22161 |
 |
| reference | metacycM:CPD1G-852 |
| formula | C182H354O17 |
| global charge | 0 |
| mol weight | 2814.817 |
| InChIKey | RZQKBZRYWGQSEN-BNGQEBJNSA-N |
| InChI | InChI=1S/C182H354O17/c1-9-13-17-21-25-29-33-37-41-45-47-49-51-53-55-63-77-89-101-113-125-137-149-165(167(183)151-139-127-115-103-91-79-65-57-61-73-85-97-109-121-133-145-161-155-163(161)147-135-123-111-99-87-75-67-69-81-93-105-117-129-141-153-169(193-7)159(5)143-131-119-107-95-83-71-59-43-39-35-31-27-23-19-15-11-3)179(191)195-157-171-173(185)175(187)177(189)181(197-171)199-182-178(190)176(188)174(186)172(198-182)158-196-180(192)166(150-138-126-114-102-90-78-64-56-54-52-50-48-46-42-38-34-30-26-22-18-14-10-2)168(184)152-140-128-116-104-92-80-66-58-62-74-86-98-110-122-134-146-162-156-164(162)148-136-124-112-100-88-76-68-70-82-94-106-118-130-142-154-170(194-8)160(6)144-132-120-108-96-84-72-60-44-40-36-32-28-24-20-16-12-4/h159-178,181-190H,9-158H2,1-8H3/t159?,160?,161?,162?,163?,164?,165?,166?,167?,168?,169?,170?,171-,172-,173-,174-,175+,176+,177-,178-,181-,182-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C182H354O17/c1-9-13-17-21-25-29-33-37-41-45-47-49-51-53-55-63-77-89-101-113-125-137-149-165(167(183)151-139-127-115-103-91-79-65-57-61-73-85-97-109-121-133-145-161-155-163(161)147-135-123-111-99-87-75-67-69-81-93-105-117-129-141-153-169(193-7)159(5)143-131-119-107-95-83-71-59-43-39-35-31-27-23-19-15-11-3)179(191)195-157-171-173(185)175(187)177(189)181(197-171)199-182-178(190)176(188)174(186)172(198-182)158-196-180(192)166(150-138-126-114-102-90-78-64-56-54-52-50-48-46-42-38-34-30-26-22-18-14-10-2)168(184)152-140-128-116-104-92-80-66-58-62-74-86-98-110-122-134-146-162-156-164(162)148-136-124-112-100-88-76-68-70-82-94-106-118-130-142-154-170(194-8)160(6)144-132-120-108-96-84-72-60-44-40-36-32-28-24-20-16-12-4/h159-178,181-190H,9-158H2,1-8H3/t159?,160?,161?,162?,163?,164?,165?,166?,167?,168?,169?,170?,171-,172-,173-,174-,175+,176+,177-,178-,181-,182-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:63][CH2:77][CH2:89][CH2:101][CH2:113][CH2:125][CH2:137][CH2:149][CH:165]([CH:167]([CH2:151][CH2:139][CH2:127][CH2:115][CH2:103][CH2:91][CH2:79][CH2:65][CH2:57][CH2:61][CH2:73][CH2:85][CH2:97][CH2:109][CH2:121][CH2:133][CH2:145][CH:161]1[CH2:155][CH:163]1[CH2:147][CH2:135][CH2:123][CH2:111][CH2:99][CH2:87][CH2:75][CH2:67][CH2:69][CH2:81][CH2:93][CH2:105][CH2:117][CH2:129][CH2:141][CH2:153][CH:169]([CH:159]([CH3:5])[CH2:143][CH2:131][CH2:119][CH2:107][CH2:95][CH2:83][CH2:71][CH2:59][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH3:3])[O:193][CH3:7])[OH:183])[C:179](=[O:191])[O:195][CH2:157][C@@H:171]1[C@@H:173]([OH:185])[C@H:175]([OH:187])[C@@H:177]([OH:189])[C@@H:181]([O:199][C@@H:182]2[C@H:178]([OH:190])[C@@H:176]([OH:188])[C@H:174]([OH:186])[C@@H:172]([CH2:158][O:196][C:180]([CH:166]([CH2:150][CH2:138][CH2:126][CH2:114][CH2:102][CH2:90][CH2:78][CH2:64][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH3:2])[CH:168]([CH2:152][CH2:140][CH2:128][CH2:116][CH2:104][CH2:92][CH2:80][CH2:66][CH2:58][CH2:62][CH2:74][CH2:86][CH2:98][CH2:110][CH2:122][CH2:134][CH2:146][CH:162]3[CH2:156][CH:164]3[CH2:148][CH2:136][CH2:124][CH2:112][CH2:100][CH2:88][CH2:76][CH2:68][CH2:70][CH2:82][CH2:94][CH2:106][CH2:118][CH2:130][CH2:142][CH2:154][CH:170]([CH:160]([CH3:6])[CH2:144][CH2:132][CH2:120][CH2:108][CH2:96][CH2:84][CH2:72][CH2:60][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH3:4])[O:194][CH3:8])[OH:184])=[O:192])[O:198]2)[O:197]1 |
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