| Properties | Image |
|---|
| MNX_ID | MNXM22163 |
 |
| reference | metacycM:CPD1G-855 |
| formula | C184H354O17 |
| global charge | 0 |
| mol weight | 2838.839 |
| InChIKey | NJKLKFGIEFYPFW-NLWFVDSWSA-N |
| InChI | InChI=1S/C184H354O17/c1-9-13-17-21-25-29-33-37-41-43-45-47-49-51-53-55-57-61-77-89-101-113-125-137-149-165(171(187)153-141-129-117-105-93-81-69-65-75-87-99-111-123-135-147-163-155-167(163)159(5)143-131-119-107-95-83-71-63-67-79-91-103-115-127-139-151-169(185)161(7)145-133-121-109-97-85-73-59-39-35-31-27-23-19-15-11-3)181(195)197-157-173-175(189)177(191)179(193)183(199-173)201-184-180(194)178(192)176(190)174(200-184)158-198-182(196)166(150-138-126-114-102-90-78-62-58-56-54-52-50-48-46-44-42-38-34-30-26-22-18-14-10-2)172(188)154-142-130-118-106-94-82-70-66-76-88-100-112-124-136-148-164-156-168(164)160(6)144-132-120-108-96-84-72-64-68-80-92-104-116-128-140-152-170(186)162(8)146-134-122-110-98-86-74-60-40-36-32-28-24-20-16-12-4/h159-168,171-180,183-184,187-194H,9-158H2,1-8H3/t159?,160?,161?,162?,163?,164?,165?,166?,167?,168?,171-,172-,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCCC3CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C184H354O17/c1-9-13-17-21-25-29-33-37-41-43-45-47-49-51-53-55-57-61-77-89-101-113-125-137-149-165(171(187)153-141-129-117-105-93-81-69-65-75-87-99-111-123-135-147-163-155-167(163)159(5)143-131-119-107-95-83-71-63-67-79-91-103-115-127-139-151-169(185)161(7)145-133-121-109-97-85-73-59-39-35-31-27-23-19-15-11-3)181(195)197-157-173-175(189)177(191)179(193)183(199-173)201-184-180(194)178(192)176(190)174(200-184)158-198-182(196)166(150-138-126-114-102-90-78-62-58-56-54-52-50-48-46-44-42-38-34-30-26-22-18-14-10-2)172(188)154-142-130-118-106-94-82-70-66-76-88-100-112-124-136-148-164-156-168(164)160(6)144-132-120-108-96-84-72-64-68-80-92-104-116-128-140-152-170(186)162(8)146-134-122-110-98-86-74-60-40-36-32-28-24-20-16-12-4/h159-168,171-180,183-184,187-194H,9-158H2,1-8H3/t159?,160?,161?,162?,163?,164?,165?,166?,167?,168?,171-,172-,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:61][CH2:77][CH2:89][CH2:101][CH2:113][CH2:125][CH2:137][CH2:149][CH:165]([C@@H:171]([CH2:153][CH2:141][CH2:129][CH2:117][CH2:105][CH2:93][CH2:81][CH2:69][CH2:65][CH2:75][CH2:87][CH2:99][CH2:111][CH2:123][CH2:135][CH2:147][CH:163]1[CH2:155][CH:167]1[CH:159]([CH3:5])[CH2:143][CH2:131][CH2:119][CH2:107][CH2:95][CH2:83][CH2:71][CH2:63][CH2:67][CH2:79][CH2:91][CH2:103][CH2:115][CH2:127][CH2:139][CH2:151][C:169]([CH:161]([CH3:7])[CH2:145][CH2:133][CH2:121][CH2:109][CH2:97][CH2:85][CH2:73][CH2:59][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH3:3])=[O:185])[OH:187])[C:181](=[O:195])[O:197][CH2:157][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]([CH2:158][O:198][C:182]([CH:166]([CH2:150][CH2:138][CH2:126][CH2:114][CH2:102][CH2:90][CH2:78][CH2:62][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH3:2])[C@@H:172]([CH2:154][CH2:142][CH2:130][CH2:118][CH2:106][CH2:94][CH2:82][CH2:70][CH2:66][CH2:76][CH2:88][CH2:100][CH2:112][CH2:124][CH2:136][CH2:148][CH:164]3[CH2:156][CH:168]3[CH:160]([CH3:6])[CH2:144][CH2:132][CH2:120][CH2:108][CH2:96][CH2:84][CH2:72][CH2:64][CH2:68][CH2:80][CH2:92][CH2:104][CH2:116][CH2:128][CH2:140][CH2:152][C:170]([CH:162]([CH3:8])[CH2:146][CH2:134][CH2:122][CH2:110][CH2:98][CH2:86][CH2:74][CH2:60][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH3:4])=[O:186])[OH:188])=[O:196])[O:200]2)[O:199]1 |
|