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compound 0169475

PropertiesImage
MNX_IDMNXM1195186 Image of MNXM1195186
referenceenvipathM:...d6d44327f704
formulaC37H66O10
global charge0
mol weight670.925
InChIKeyBDNSAKXAKDPKAL-UHFFFAOYSA-N
InChIInChI=1S/C37H66O10/c1-3-5-6-7-8-10-14-21-31(40)22-15-13-17-25-35(43)37(45)47-32(28-38)29-46-36(44)27-18-12-9-11-16-24-33(41)34(42)26-19-23-30(39)20-4-2/h7-8,14,19,21,23,30-35,38-43H,3-6,9-13,15-18,20,22,24-29H2,1-2H3
SMILESCCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(CO)COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC
MNX internals
InChI (mnx)InChI=1/C37H66O10/c1-3-5-6-7-8-10-14-21-31(40)22-15-13-17-25-35(43)37(45)47-32(28-38)29-46-36(44)27-18-12-9-11-16-24-33(41)34(42)26-19-23-30(39)20-4-2/h7-8,14,19,21,23,30-35,38-43H,3-6,9-13,15-18,20,22,24-29H2,1-2H3/b8-7?,21-14?,23-19?/t30?,31?,32?,33?,34?,35? Image of MNXM1195186
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:10][CH:14]=[CH:21][CH:31]([CH2:22][CH2:15][CH2:13][CH2:17][CH2:25][CH:35]([C:37](=[O:45])[O:47][CH:32]([CH2:28][OH:38])[CH2:29][O:46][C:36]([CH2:27][CH2:18][CH2:12][CH2:9][CH2:11][CH2:16][CH2:24][CH:33]([CH:34]([CH2:26][CH:19]=[CH:23][CH:30]([CH2:20][CH2:4][CH3:2])[OH:39])[OH:42])[OH:41])=[O:44])[OH:43])[OH:40]
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:...d6d44327f704
envipathM:...d6d44327f704
BDNSAKXAKDPKAL-UHFFFAOYSA-N
compound 0169475