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compound 0288479

PropertiesImageOccurences in reactions
MNX_IDMNXM1370015Image of MNXM1370015
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC49H73N10O14
charge-3
mass1026.179
referenceenvipathM:...bf4a1c22db22
InChIKeyLVVONPAFYBIBES-MAJCUQIISA-K
InChIInChI=1S/C49H76N10O14/c1-26(2)23-36(56-41(62)30(6)50)43(64)58-39(46(69)70)49(8,72)47(71)57-34(17-14-22-53-48(51)52)42(63)54-33(19-18-27(3)24-28(4)37(73-10)25-32-15-12-11-13-16-32)29(5)40(61)55-35(45(67)68)20-21-38(60)59(9)31(7)44(65)66/h11-13,15-16,18-19,24,26,28-30,33-37,39,72H,7,14,17,20-23,25,50H2,1-6,8-10H3,(H,54,63)(H,55,61)(H,56,62)(H,57,71)(H,58,64)(H,65,66)(H,67,68)(H,69,70)(H4,51,52,53)/p-3/b19-18+,27-24+/t28-,29-,30+,33-,34-,35+,36-,37-,39-,49+/m0/s1
SMILES[CH3:1][CH:26]([CH3:2])[CH2:23][C@@H:36]([C:43](=[N:58][C@@H:39]([C:46](=[O:69])[OH:70])[C@:49]([CH3:8])([C:47](=[N:57][C@@H:34]([CH2:17][CH2:14][CH2:22][NH:53][C:48](=[NH:51])[NH2:52])[C:42](=[N:54][C@@H:33](/[CH:19]=[CH:18]/[C:27]([CH3:3])=[CH:24]/[C@H:28]([CH3:4])[C@H:37]([CH2:25][c:32]1[cH:15][cH:12][cH:11][cH:13][cH:16]1)[O:73][CH3:10])[C@H:29]([CH3:5])[C:40](=[N:55][C@H:35]([CH2:20][CH2:21][C:38]([N:59]([CH3:9])[C:31](=[CH2:7])[C:44](=[O:65])[OH:66])=[O:60])[C:45](=[O:67])[OH:68])[OH:61])[OH:63])[OH:71])[OH:72])[OH:64])[N:56]=[C:41]([C@@H:30]([CH3:6])[NH2:50])[OH:62]
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IdentifierDescription
envipath:...bf4a1c22db22
envipathM:...bf4a1c22db22
compound 0288479
envipath:...af63c28019bf
envipathM:...af63c28019bf
compound 0287800