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Precorrin 2

PropertiesImageOccurences in reactions
MNX_IDMNXM1379614Image of MNXM1379614
#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 3
formulaC42H40N4O16
charge-8
mass856.794
referenceseedM:cpd01620
InChIKeyMFZGAVZCDXXITC-MMLYINKNSA-F
InChIInChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14,16,23-24,43-44H,3-13,15,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-8/b29-14-,30-16?/t23-,24-,41+,42+/m1/s1
SMILES[CH3:1][C@:41]1([CH2:17][C:39](=[O:59])[OH:60])[C@H:23]([CH2:5][CH2:9][C:35](=[O:51])[OH:52])/[C:29]2=[CH:14]/[c:27]3[c:21]([CH2:11][C:37](=[O:55])[OH:56])[c:19]([CH2:3][CH2:7][C:33](=[O:47])[OH:48])[c:25]([nH:43]3)[CH2:13][c:26]3[c:20]([CH2:4][CH2:8][C:34](=[O:49])[OH:50])[c:22]([CH2:12][C:38](=[O:57])[OH:58])[c:28]([nH:44]3)[CH2:15][C:31]3=[N:46][C:30](=[CH:16][C:32]1=[N:45]2)[C@@H:24]([CH2:6][CH2:10][C:36](=[O:53])[OH:54])[C@:42]3([CH3:2])[CH2:18][C:40](=[O:61])[OH:62]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd01620
seedM:cpd01620
Precorrin 2
Dihydrosirohydrochlorin
dihydrosirohydrochlorin
pre2
precorrin-2
seedM:M_cpd01620 secondary/obsolete/fantasy identifier