Search MNXref
 Feedback

compound 0123411

PropertiesImage
MNX_IDMNXM1179689 Image of MNXM1179689
referenceenvipathM:...789c4ef03780
formulaC37H64O10
global charge0
mol weight668.909
InChIKeyHEGMUNZCDPUSSC-UHFFFAOYSA-N
InChIInChI=1S/C37H64O10/c1-3-5-7-10-15-21-30-31(46-30)22-16-11-8-13-18-24-33(40)44-26-28(38)27-45-34(41)25-19-14-9-12-17-23-32-37(47-32)36(43)35(42)29(39)20-6-4-2/h10,15,29-32,35-37,39,42-43H,3-9,11-14,16-27H2,1-2H3
SMILESCCCCC=CCC1OC1CCCCCCCC(=O)OCC(=O)COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC
MNX internals
InChI (mnx)InChI=1/C37H64O10/c1-3-5-7-10-15-21-30-31(46-30)22-16-11-8-13-18-24-33(40)44-26-28(38)27-45-34(41)25-19-14-9-12-17-23-32-37(47-32)36(43)35(42)29(39)20-6-4-2/h10,15,29-32,35-37,39,42-43H,3-9,11-14,16-27H2,1-2H3/b15-10?/t29?,30?,31?,32?,35?,36?,37? Image of MNXM1179689
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:10]=[CH:15][CH2:21][CH:30]1[CH:31]([CH2:22][CH2:16][CH2:11][CH2:8][CH2:13][CH2:18][CH2:24][C:33](=[O:40])[O:44][CH2:26][C:28]([CH2:27][O:45][C:34]([CH2:25][CH2:19][CH2:14][CH2:9][CH2:12][CH2:17][CH2:23][CH:32]2[CH:37]([CH:36]([CH:35]([CH:29]([CH2:20][CH2:6][CH2:4][CH3:2])[OH:39])[OH:42])[OH:43])[O:47]2)=[O:41])=[O:38])[O:46]1
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

envipath:...789c4ef03780
envipathM:...789c4ef03780
HEGMUNZCDPUSSC-UHFFFAOYSA-N
compound 0123411