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mycoside B

PropertiesImage
MNX_IDMNXM164922 Image of MNXM164922
referencemetacycM:CPD-18679
formulaC86H155O10*6
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]CCCCCCCCCCCCC[C@@H]([*])C[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)O[C@H](CCCCCCCCCCCCC[*]C1=CC=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2OC)C=C1)C[C@@H](CCCC[C@H](C)[C@@H](C[*])OC)OC(=O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H]([*])CCCCCCCCCCCCC[*]
MNX internals
InChI (mnx)InChI=1/C92H172O10/c1-16-19-21-23-25-27-29-33-37-41-45-49-55-72(4)65-74(6)67-76(8)69-79(11)90(95)100-84(59-52-48-44-40-36-32-31-35-39-43-47-51-58-82-61-63-83(64-62-82)102-92-89(98-15)88(94)87(93)81(13)99-92)71-85(60-54-53-57-78(10)86(18-3)97-14)101-91(96)80(12)70-77(9)68-75(7)66-73(5)56-50-46-42-38-34-30-28-26-24-22-20-17-2/h61-64,72-81,84-89,92-94H,16-60,65-71H2,1-15H3/t72-,73-,74-,75-,76-,77-,78+,79-,80-,81+,84-,85-,86-,87+,88-,89-,92+/m1/s1/i1+1,2+1,3+1,4+1,5+1,58+1 Image of MNXM164922
SMILES (mnx)[13CH3:1][CH2:16][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:55][C@@H:72]([13CH3:4])[CH2:65][C@@H:74]([CH3:6])[CH2:67][C@@H:76]([CH3:8])[CH2:69][C@@H:79]([CH3:11])[C:90](=[O:95])[O:100][C@H:84]([CH2:59][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][13CH2:58][C:82]1=[CH:62][CH:64]=[C:83]([O:102][C@H:92]2[C@H:89]([O:98][CH3:15])[C@H:88]([OH:94])[C@@H:87]([OH:93])[C@H:81]([CH3:13])[O:99]2)[CH:63]=[CH:61]1)[CH2:71][C@@H:85]([CH2:60][CH2:54][CH2:53][CH2:57][C@H:78]([CH3:10])[C@@H:86]([CH2:18][13CH3:3])[O:97][CH3:14])[O:101][C:91]([C@H:80]([CH3:12])[CH2:70][C@H:77]([CH3:9])[CH2:68][C@H:75]([CH3:7])[CH2:66][C@H:73]([13CH3:5])[CH2:56][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][13CH3:2])=[O:96]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18679
metacycM:CPD-18679 		mycoside B
C102-(2-O-methyl-alpha-L-rhamnopyranosyl) dimycocerosyl phenol-phthiocerol
C102-PGL
C102-dimycocerosyl monoglycosyl phenolphthiocerol
C102-monoglycosyl dimycocerosyl phenolphthiocerol