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Monlicin B

PropertiesImage
MNX_IDMNXM1131026 Image of MNXM1131026
referencelipidmapsM:LMPK03000092
formulaC35H64O7
global charge0
mol weight596.89
InChIKeyRHCCRBHGFXGPHN-LRJCJXCVSA-N
InChIInChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-33(39)34-24-22-30(42-34)18-15-14-17-19-31(37)32(38)23-21-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33+,34+/m0/s1
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](CCCCC[C@H](O)[C@@H](O)CC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
MNX internals
InChI (mnx)InChI=1/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-33(39)34-24-22-30(42-34)18-15-14-17-19-31(37)32(38)23-21-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33+,34+/m0/s1 Image of MNXM1131026
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:16][CH2:20][C@H:33]([C@H:34]1[CH2:24][CH2:22][C@H:30]([CH2:18][CH2:15][CH2:14][CH2:17][CH2:19][C@@H:31]([C@H:32]([CH2:23][CH2:21][C@H:29]([CH2:26][C:28]2=[CH:25][C@H:27]([CH3:2])[O:41][C:35]2=[O:40])[OH:36])[OH:38])[OH:37])[O:42]1)[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK03000092
lipidmapsM:LMPK03000092
RHCCRBHGFXGPHN-LRJCJXCVSA-N 		Monlicin B